Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.37 |
| ▸ | QPCT | Q16769 | 1/20 | 0.37 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.37 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | G6PD | P11413 | 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 | |
|---|---|---|---|---|
| SCHEMBL12952428 | 0.73 | CYP2A6 (0.33) | — | |
| SCHEMBL9684263 | 0.70 | CYP2A6 (0.32) | POLBCYP2D6 | |
| SCHEMBL9683487 | 0.68 | CTNNB1 (0.33) | ALDH1A1HPGDMAPTPOLBCYP1A2 | |
| SCHEMBL5490865 | 0.66 | CYP19A1 (0.45) | ALDH1A1HPGDMAPTPOLBCYP1A2 | |
| SCHEMBL3725873 | 0.66 | HPGD (0.46) | ALDH1A1HPGDMAPTPOLBCYP1A2 | |
| SCHEMBL31212412 | 0.65 | CYP19A1 (0.44) | ALDH1A1MAPTPOLBCYP1A2CYP3A4 | |
| SCHEMBL28080846 | 0.65 | HPGDS (0.49) | ALDH1A1MAPTPOLBCYP1A2CYP3A4 | |
| SCHEMBL14985293 | 0.64 | HTR6 (0.43) | ALDH1A1HPGDMAPTPOLBCYP2D6 | |
| SCHEMBL30912787 | 0.64 | CYP19A1 (0.49) | ALDH1A1MAPTPOLBCYP1A2CYP3A4 | |
| SCHEMBL182699 | 0.64 | CYP2D6 (0.51) | ALDH1A1HPGDMAPTPOLBCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0475187-A1 | Naphthothiophenimines for treating neuronal disorders caused by ischemia | BRISTOL-MYERS SQUIBB COMPANY (US) | 1992-03-18 | — | — | EP | disclosed |
| US-5064831-A | N-methyl-d-aspartate receptor antagonist | BRISTOL-MYERS SQUIBB CO. (US) | 1991-11-12 | — | — | US | disclosed |