Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 3/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 3/20 | 0.54 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.51 |
| ▸ | SLC9A1 | P19634 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 8/20 | 0.48 |
| ▸ | NPC1 | O15118 | 5/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | MGAM | O43451 | 1/20 | 0.48 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.48 |
| ▸ | SI | P14410 | 1/20 | 0.48 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2491842 | 0.89 | GAA (0.63) | POLBCYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL2488627 | 0.85 | CYP1A2 (0.59) | POLBCYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL3342201 | 0.80 | RPS6KA3 (0.73) | POLBCYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL2488109 | 0.79 | RAB9A (0.65) | POLBCYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL13479677 | 0.78 | CYP1A2 (0.53) | POLBCYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL10405256 | 0.77 | CYP1A2 (0.58) | POLBCYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL10903221 | 0.74 | CYP1A2 (0.54) | POLBCYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL2491779 | 0.74 | SLC9A1 (0.57) | POLBCYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL15871991 | 0.74 | POLB (0.77) | POLBCYP1A2CYP2C9CYP2C19GAA | |
| SCHEMBL9618157 | 0.74 | RPS6KA3 (0.84) | POLBCYP1A2CYP2C9CYP2C19ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5556874-A | ENZYME INHIBITORS AS ANTICARCINOGENIC AGENTS | WARNER LAMBERT COMPANY (US) | 1996-09-17 | — | — | US | disclosed |
| US-5464861-A | Anticarcinogenic agents | WARNER-LAMBERT (US) | 1995-11-07 | — | — | US | disclosed |
| EP-0654024-A1 | 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES | WARNER-LAMBERT COMPANY (US) | 1995-05-24 | — | — | EP | disclosed |
| WO-1994003427-A1 | 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES | WARNER-LAMBERT COMPANY (US) | 1994-02-17 | — | — | WO | disclosed |