Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTNNB1 | P35222 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | ACP3 | P15309 | 4/20 | 0.43 |
| ▸ | CTSG | P08311 | 1/20 | 0.43 |
| ▸ | CMA1 | P23946 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.41 |
| ▸ | METAP2 | P50579 | 1/20 | 0.39 |
| ▸ | METAP1 | P53582 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9461914 | 0.94 | CTNNB1 (0.47) | CTNNB1ALDH1A1ACP3CTSGCMA1 | |
| SCHEMBL28555282 | 0.78 | CES2 (0.53) | CTNNB1ALDH1A1ACP3CTSGCMA1 | |
| SCHEMBL9352212 | 0.77 | CTNNB1 (0.51) | CTNNB1ALDH1A1ACP3CTSGCMA1 | |
| SCHEMBL28739289 | 0.77 | CYP2C9 (0.53) | CTNNB1ALDH1A1ACP3CTSGCMA1 | |
| SCHEMBL4808858 | 0.77 | CTNNB1 (0.51) | CTNNB1ALDH1A1ACP3CTSGCMA1 | |
| SCHEMBL28283351 | 0.77 | CTNNB1 (0.51) | CTNNB1ALDH1A1ACP3CTSGCMA1 | |
| SCHEMBL24017144 | 0.76 | ALDH1A1 (0.60) | ALDH1A1ACP3CYP2C9CYP2C19HPGD | |
| SCHEMBL29887508 | 0.76 | ALDH1A1 (0.60) | ALDH1A1ACP3CYP2C9CYP2C19HPGD | |
| SCHEMBL9906119 | 0.76 | ALDH1A1 (0.60) | ALDH1A1ACP3CYP2C9CYP2C19HPGD | |
| SCHEMBL2067587 | 0.76 | ALDH1A1 (0.60) | ALDH1A1ACP3CYP2C9CYP2C19HPGD |
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-1981831-A2 | KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF | Vaidya, Niteen A. (US) | 2008-10-22 | — | — | EP | claimed |
| WO-2007092264-A2 | KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF | VAIDYA NITEEN A (US) | 2007-08-16 | — | — | WO | claimed |