Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | NQO2 | P16083 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1028129 | 0.89 | TDP1 (0.46) | CYP2A6TDP1ALDH1A1CYP1A2ACHE | |
| SCHEMBL1031960 | 0.83 | TSHR (0.53) | CYP2A6TDP1ALDH1A1CYP1A2ACHE | |
| SCHEMBL1031248 | 0.83 | TDP1 (0.38) | CYP2A6TDP1ALDH1A1CYP1A2ACHE | |
| SCHEMBL15529624 | 0.81 | CYP1A2 (0.47) | CYP2A6TDP1ALDH1A1CYP1A2ACHE | |
| SCHEMBL15529922 | 0.81 | TDP1 (0.37) | CYP2A6TDP1ALDH1A1CYP1A2ACHE | |
| SCHEMBL15529622 | 0.76 | TDP1 (0.39) | CYP2A6TDP1ALDH1A1CYP1A2ACHE | |
| SCHEMBL15529720 | 0.75 | ACHE (0.48) | CYP2A6TDP1ALDH1A1CYP1A2ACHE | |
| SCHEMBL15529559 | 0.74 | RAPGEF4 (0.39) | CYP2A6TDP1ALDH1A1CYP1A2TP53 | |
| SCHEMBL1030864 | 0.74 | TDP1 (0.46) | CYP2A6TDP1ALDH1A1CYP1A2ACHE | |
| SCHEMBL15529913 | 0.72 | RAPGEF4 (0.33) | CYP2A6TDP1ALDH1A1CYP1A2TP53 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013167585-A2 | RECYCLING OF ORGANOTIN COMPOUNDS | UNIVERSITEIT ANTWERPEN (BE) | 2013-11-14 | — | — | WO | disclosed |