Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Phenylacetylene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Phenylacetylene SCHEMBL9799272 | 1.00 | APP (0.47) | APPHDAC8TSHRCYP2C9CA12 | |
| Phenylacetylene SCHEMBL10383494 | 0.97 | — | — | |
| Phenylacetylene SCHEMBL28868225 | 0.97 | APP (0.50) | APPHDAC8TSHRCYP2C9CA12 | |
| Phenylacetylene SCHEMBL20705253 | 0.97 | — | — | |
| Phenylacetylene SCHEMBL1331558 | 0.94 | — | — | |
| Phenylacetylene SCHEMBL6891916 | 0.94 | APP (0.53) | APPHDAC8TSHRCYP2C9CA12 | |
| Phenylacetylene SCHEMBL1331408 | 0.94 | — | — | |
| Phenylacetylene SCHEMBL4884 | 0.94 | — | — | |
| Phenylacetylene SCHEMBL1331398 | 0.94 | — | — | |
| Phenylacetylene SCHEMBL4297769 | 0.94 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108530266-B | Alkynyl heptanediol compound and preparation method and application thereof | 湖南科技大学 | 2021-02-02 | — | — | CN | disclosed |
| CN-108530266-A | A kind of alkynyl heptandiol class compound and its preparation method and application | 湖南科技大学 | 2018-09-14 | — | — | CN | disclosed |
| CN-101421290-B | 17-phosphorous steroid derivatives useful as progesterone receptor modulators | JANSSEN PHARMACEUTICA NV | 2012-09-19 | — | — | CN | disclosed |
| CN-101415720-B | 11-phosphorus steroid derivatives as progesterone receptor modulators | JANSSEN PHARMACEUTICA NV | 2011-10-05 | — | — | CN | disclosed |
| CN-101421290-A | 17-phosphorous steroid derivatives useful as progesterone receptor modulators | JANSSEN PHARMACEUTICA NV (BE) | 2009-04-29 | — | — | CN | disclosed |
| CN-101415720-A | 11-phosphorus steroid derivatives as progesterone receptor modulators | JANSSEN PHARMACEUTICA NV (BE) | 2009-04-22 | — | — | CN | disclosed |
| US-20090042888-A1 | Prostaglandin endoperoxide H synthase biosynthesis inhibitors | BLACK LAWRENCE A | 2009-02-12 | — | — | US | disclosed |
| US-7115591-B2 | Pyridazinone compounds as cyclooxygenase [COX] 2 inhibitorsfor gastrointestinal disorders | ABBOTT LABORATORIES (US) | 2006-10-03 | — | — | US | disclosed |
| US-7001895-B2 | Prostaglandin endoperoxide H synthase biosynthesis inhibitors | ABBOTT LABORATORIES (US) | 2006-02-21 | — | — | US | disclosed |
| CN-1167687-C | Arylpyridazinones as prostaglandin endoperoxide H synthase biosynthesis inhibitors | ���Ͽع�����˾ | 2004-09-22 | — | — | CN | disclosed |
| US-6307047-B1 | PYRIDAZINONE COMPOUNDS; INHIBITORS OF CYCLOOXYGENASE-2 (COX-2); SELECTIVITY OF THESE COMPOUNDS FOR COX-2 MINIMIZES THE UNWANTED GI AND RENAL SIDE-EFFECTS SEEN WITH CURRENTLY MARKETED NON-STEROIDAL ANTI-INFLAMMATORY DRUGS | ABBOTT LABORATORIES | 2001-10-23 | — | — | US | disclosed |
| EP-1124804-A1 | PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS | ABBOTT LABORATORIES (US) | 2001-08-22 | — | — | EP | disclosed |
| CN-1277605-A | Arylpyridazinones as prostaglandin endoperoxide H synthase biosynthesis inhibitors | ABBOTT LAB (US) | 2000-12-20 | — | — | CN | disclosed |
| EP-1007515-A1 | ARYLPYRIDAZINONES AS PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS | Abbott Laboratories (US) | 2000-06-14 | — | — | EP | disclosed |
| WO-2000024719-A1 | PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS | ABBOTT LABORATORIES (US) | 2000-05-04 | — | — | WO | disclosed |
| WO-1999010331-A1 | ARYLPYRIDAZINONES AS PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS | ABBOTT LABORATORIES (US) | 1999-03-04 | — | — | WO | disclosed |
| US-5231158-A | One part heat curable organopolysiloxane compositions and method | GENERAL ELECTRIC COMPANY (US) | 1993-07-27 | — | — | US | disclosed |
| EP-0479062-A2 | One part heat curable organopolysiloxane compositions and method | GENERAL ELECTRIC COMPANY (US) | 1992-04-08 | — | — | EP | disclosed |
| EP-0206765-B1 | PROCESS FOR PREPARATION OF ROOPEROL, HYPOXOSIDE AND DERIVATIVES THEREOF | ROOPEROL (NA) NV (NL) | 1991-03-06 | — | — | EP | disclosed |
| EP-0206765-A2 | Process for preparation of rooperol, hypoxoside and derivatives thereof | ROOPEROL (NA) NV (NL) | 1986-12-30 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090042888-A1 | Prostaglandin endoperoxide H synthase biosynthesis inhibitors | PTGIS, PTGS1, PTGS2 | APP 4371/4885HDAC8 3944/4885TSHR 4055/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.