Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Pyrene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.92 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.92 |
| ▸ | TSHR | P16473 | 6/20 | 0.92 |
| ▸ | HPGD | P15428 | 4/20 | 0.92 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.92 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.92 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.92 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.92 |
| ▸ | THRB | P10828 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.48 |
| ▸ | FYN | P06241 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | AHR | P35869 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Pyrene SCHEMBL1332849 | 0.96 | ALDH1A1 (1.00) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| Pyrene SCHEMBL1650929 | 0.96 | ALDH1A1 (1.00) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| Pyrene SCHEMBL29429699 | 0.96 | ALDH1A1 (1.00) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| Pyrene SCHEMBL223412 | 0.96 | ALDH1A1 (1.00) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| Pyrene SCHEMBL9130 | 0.96 | ALDH1A1 (1.00) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| Pyrene SCHEMBL23319293 | 0.92 | ALDH1A1 (0.92) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| Pyrene SCHEMBL11237257 | 0.92 | ALDH1A1 (0.92) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| Pyrene SCHEMBL8161789 | 0.92 | ALDH1A1 (0.92) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| Pyrene SCHEMBL21693735 | 0.92 | ALDH1A1 (0.92) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| Pyrene SCHEMBL5491301 | 0.92 | ALDH1A1 (0.92) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230068165-A1 | PHOSPHINE-MEDIATED AMINE-AZIDE COUPLING IN IONIC LIQUID FOR BIOCONJUGATION REACTIONS | NORTH CAROLINA STATE UNIVERSITY | 2023-03-02 | — | — | US | disclosed |
| US-8420865-B2 | Phosphine compound, process for producing the same, and peroxide scavenger using the same | FUKUOKA UNIVERSITY (JP) | 2013-04-16 | — | — | US | disclosed |
| US-20110015440-A1 | PHOSPHINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND PEROXIDE SCAVENGER USING THE SAME | FUKUOKA UNIVERSITY (JP) | 2011-01-20 | — | — | US | 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-20110015440-A1 | PHOSPHINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND PEROXIDE SCAVENGER USING THE SAME | FECH, PRDX5, MTCH2 | ACHE 3231/4885ALDH1A1 3057/4885HSD17B10 1549/4885 |
| US-20230068165-A1 | PHOSPHINE-MEDIATED AMINE-AZIDE COUPLING IN IONIC LIQUID FOR BIOCONJUGATION REACTIONS | PHOSPHO1, RNGTT, ANPEP | ACHE 1063/4885ALDH1A1 3890/4885HSD17B10 4699/4885 |
“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.