Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | RARA | P10276 | 1/20 | 0.41 |
| ▸ | RARB | P10826 | 1/20 | 0.41 |
| ▸ | RARG | P13631 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8565252 | 0.91 | KMT2A (0.45) | ACACBKMT2ACYP3A4RARARARB | |
| SCHEMBL9817661 | 0.87 | ACACB (0.39) | ACACBKMT2ACYP3A4RARARARB | |
| SCHEMBL9817666 | 0.87 | RARA (0.49) | ACACBKMT2ACYP3A4RARARARB | |
| SCHEMBL20636819 | 0.86 | KMT2A (0.40) | ACACBKMT2ACYP3A4RARARARB | |
| SCHEMBL20636841 | 0.86 | KMT2A (0.47) | KMT2ACYP3A4RARARARBRARG | |
| SCHEMBL1078963 | 0.85 | CYP3A4 (0.60) | KMT2ACYP3A4RARARARBRARG | |
| SCHEMBL9817762 | 0.85 | MAPT (0.35) | ACACBKMT2ACYP3A4RARARARB | |
| SCHEMBL9817728 | 0.85 | TSHR (0.37) | KMT2ACYP3A4RARARARBRARG | |
| SCHEMBL20636846 | 0.84 | CA12 (0.44) | KMT2ACYP3A4RARARARBRARG | |
| SCHEMBL20636857 | 0.84 | KMT2A (0.37) | KMT2ACYP3A4RARARARBRARG |
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 |
|---|---|---|---|---|---|---|---|
| EP-0290130-B1 | ACETYLENES DISUBSTITUTED WITH A PHENYL GROUP AND A HETEROBICYCLIC GROUP HAVING RETINOID LIKE ACTIVITY | ALLERGAN, INC (US) | 1991-11-06 | — | — | EP | disclosed |
| US-4810804-A | PSORIASIS | ALLERGAN, INC. (US) | 1989-03-07 | — | — | US | disclosed |
| EP-0290130-A1 | Acetylenes disubstituted with a phenyl group and a heterobicyclic group having retinoid like activity | ALLERGAN, INC (US) | 1988-11-09 | — | — | EP | disclosed |