Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8713153 | 0.78 | GSTP1 (0.43) | HSP90AA1ALDH1A1GRIN1GRIN2AGRIN2B | |
| SCHEMBL31650634 | 0.77 | KDM4E (0.45) | ALDH1A1GRIN1GRIN2AGRIN2BCYP3A4 | |
| SCHEMBL2061344 | 0.77 | KDM4E (0.45) | ALDH1A1GRIN1GRIN2AGRIN2BCYP3A4 | |
| SCHEMBL1808153 | 0.74 | KDM4E (0.49) | ALDH1A1CYP3A4THRBMAPK1SMN1; SMN2 | |
| SCHEMBL31656371 | 0.70 | MTNR1A (0.43) | ALDH1A1MAPK1MTNR1AMTNR1BCYP1A2 | |
| SCHEMBL4523687 | 0.70 | ALDH1A1 (0.37) | ALDH1A1CYP3A4THRBMAPK1SMN1; SMN2 | |
| SCHEMBL1495858 | 0.70 | KDM1A (0.53) | ALDH1A1CYP3A4THRBMAPK1SMN1; SMN2 | |
| SCHEMBL886664 | 0.69 | PDE7A (0.51) | ALDH1A1GRIN1GRIN2AGRIN2BCYP3A4 | |
| SCHEMBL4420031 | 0.69 | RXRA (0.53) | ALDH1A1CYP3A4THRBMAPK1 | |
| SCHEMBL29462816 | 0.69 | RXRA (0.53) | ALDH1A1CYP3A4THRBMAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5945561-A | ANTIINFLAMMATORY AGENT, RHEUMATIC DISORDERS, SKIN DISORDERS,ANTISCARRING AGENT | BRISTOL-MYERS SQUIBB COMPANY (US) | 1999-08-31 | — | — | US | disclosed |
| WO-1998049136-A1 | RETINOID-LIKE COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-11-05 | — | — | WO | disclosed |