Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTNNB1 | P35222 | 1/20 | 0.33 |
| ▸ | WNT3A | P56704 | 1/20 | 0.33 |
| ▸ | CHRNE | Q04844 | 1/20 | 0.32 |
| ▸ | COMT | P21964 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | EP300 | Q09472 | 1/20 | 0.31 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL455368 | 0.73 | CYP3A4 (0.41) | COMTCYP3A4ALDH1A1KDM4EHPGD | |
| SCHEMBL9684575 | 0.68 | ALDH1A1 (0.37) | CYP3A4ALDH1A1HPGDPOLBCYP1A2 | |
| Benzothiophene SCHEMBL15227137 | 0.66 | CTNNB1 (0.43) | CTNNB1WNT3A | |
| Benzothiophene SCHEMBL6836326 | 0.66 | CA12 (0.41) | CTNNB1WNT3AKDM4E | |
| SCHEMBL15074596 | 0.66 | — | — | |
| SCHEMBL15076887 | 0.66 | — | — | |
| SCHEMBL15070173 | 0.65 | — | — | |
| Benzothiophene SCHEMBL4378682 | 0.64 | CTNNB1 (0.46) | CTNNB1WNT3A | |
| Benzothiophene SCHEMBL28758675 | 0.64 | CTNNB1 (0.46) | CTNNB1WNT3A | |
| SCHEMBL31486453 | 0.64 | GPR35 (0.36) | CTNNB1WNT3APOLBMAPT |
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 |