Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8974735 | 0.82 | MCL1 (0.50) | ALDH1A1KMT2ATDP1 | |
| SCHEMBL2556706 | 0.79 | ALDH1A1 (0.48) | ALDH1A1ALOX15KMT2AGAACA1 | |
| SCHEMBL18158039 | 0.74 | ALDH1A1 (0.56) | ALDH1A1ALOX15GAATDP1CA1 | |
| SCHEMBL13066508 | 0.73 | ALDH1A1 (0.62) | ALDH1A1ALOX15GAACA1CA2 | |
| SCHEMBL16550141 | 0.73 | APOBEC3G (0.52) | ALDH1A1CYP3A4CYP2C9CYP2C19APOBEC3G | |
| SCHEMBL5853971 | 0.73 | CYP3A4 (0.47) | ALDH1A1CYP3A4CYP2C9CYP2C19APOBEC3G | |
| SCHEMBL5853978 | 0.73 | TEAD1 (0.49) | ALDH1A1CYP3A4CYP2C9CYP2C19APOBEC3G | |
| SCHEMBL2776583 | 0.71 | ALDH1A1 (0.59) | ALDH1A1ALOX15GAACA1CA2 | |
| SCHEMBL14150723 | 0.71 | ALDH1A1 (0.52) | ALDH1A1ALOX15GAACA1CA2 | |
| SCHEMBL7195145 | 0.71 | ALDH1A1 (0.52) | ALDH1A1ALOX15CYP3A4CYP2C9GAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996039132-A1 | N,N-DISULFONYLATED AMINOBENZENE CARBOXYLIC ACIDS AND THE USE THEREOF AS THROMBIN INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1996-12-12 | — | — | WO | disclosed |
| US-5559150-A | ANTICOAGULANT, ANTITUMOR, ANTIINFLAMMATORY | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1996-09-24 | — | — | US | disclosed |