Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.68 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.68 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL31670429 | 1.00 | ESR1 (0.68) | ESR1ESR2HDAC6HDAC8PKM | |
| SCHEMBL1787035 | 0.92 | ESR1 (0.56) | ESR1ESR2HDAC6HDAC8PKM | |
| SCHEMBL31670368 | 0.88 | HDAC6 (0.55) | ESR1ESR2HDAC6HDAC8RAB9A | |
| SCHEMBL14101079 | 0.87 | ESR1 (0.70) | ESR1ESR2HDAC6HDAC8PKM | |
| SCHEMBL5359582 | 0.86 | ESR1 (0.65) | ESR1ESR2HDAC6HDAC8PKM | |
| SCHEMBL3292015 | 0.85 | ESR1 (0.64) | ESR1ESR2HDAC6HDAC8PKM | |
| SCHEMBL31670393 | 0.85 | ESR1 (0.67) | ESR1ESR2HDAC6HDAC8PKM | |
| Hydrochloric Acid SCHEMBL6193455 | 0.83 | ESR1 (0.61) | ESR1ESR2HDAC6HDAC8PKM | |
| SCHEMBL28631452 | 0.83 | ESR1 (0.57) | ESR1ESR2HDAC6HDAC8PKM | |
| SCHEMBL8266789 | 0.83 | ESR1 (0.72) | ESR1ESR2HDAC6HDAC8PKM |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7465744-B2 | Triazole compounds and the therapeutic use thereof | ABBOTT GMBH & CO. KG (DE) | 2008-12-16 | — | — | US | disclosed |
| EP-1996198-A1 | ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR | Kalypsys, Inc. (US) | 2008-12-03 | — | — | EP | disclosed |
| EP-1594861-B1 | TRIAZOLE COMPOUNDS AND THE THERAPEUTIC USE THEREOF | ABBOTT GMBH & CO KG (DE) | 2008-06-18 | — | — | EP | disclosed |
| WO-2007109577-A1 | ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR | KALYPSYS, INC. (US) | 2007-09-27 | — | — | WO | disclosed |
| WO-2007109577-A1 | ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR | KALYPSYS, INC. (US) | 2007-09-27 | — | — | WO | disclosed |
| US-20070219193-A1 | ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR | KALYPSYS, INC (US) | 2007-09-20 | — | — | US | disclosed |
| US-20070219193-A1 | ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR | KALYPSYS, INC (US) | 2007-09-20 | — | — | US | disclosed |
| US-20070219193-A1 | ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR | KALYPSYS, INC (US) | 2007-09-20 | — | — | US | disclosed |
| US-7268142-B2 | Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline | PFIZER INC. (US) | 2007-09-11 | — | — | US | disclosed |
| US-20060241137-A1 | Dopamine-D3-receptor antagonists/agonists; high selectivity, bioavailability and high cerebral availability; central nervous system diorders; 2-{3-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]propyl}-7-propionyl-1,2,3,4-tetrahydroisoquinoline | ABBVIE DEUTSCHLAND GMBH & CO KG (DE) | 2006-10-26 | — | — | US | disclosed |
| EP-1594861-A1 | TRIAZOLE COMPOUNDS AND THE THERAPEUTIC USE THEREOF | Abbott GmbH & Co. KG (DE) | 2005-11-16 | — | — | EP | disclosed |
| WO-2004069830-A1 | TRIAZOLE COMPOUNDS AND THE THERAPEUTIC USE THEREOF | ABBOTT GMBH & CO. KG (DE) | 2004-08-19 | — | — | WO | 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 (2 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-20070219193-A1 | ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR | PPARG, PPARA, PPARD | ESR1 991/4885ESR2 204/4885HDAC6 415/4885 |
| US-20060241137-A1 | Dopamine-D3-receptor antagonists/agonists; high selectivity, bioavailability and high cerebral availability; central nervous system diorders; 2-{3-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]propyl}-7-propionyl-1,2,3,4-tetrahydroisoquinoline | DRD3, SLC6A3, ADORA3 | ESR1 1097/4885ESR2 1289/4885HDAC6 2902/4885 |
“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.