Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | IDH1 | O75874 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1029428 | 0.70 | ALDH1A1 (0.43) | CYP2A6CYP1A2ALDH1A1HSD17B10HPGD | |
| SCHEMBL11328666 | 0.70 | CYP2A6 (0.81) | CYP2A6CYP1A2ALDH1A1HSD17B10HPGD | |
| SCHEMBL15529805 | 0.69 | CYP1A2 (0.40) | CYP2A6CYP1A2TSHRNPC1RAB9A | |
| SCHEMBL20609436 | 0.68 | CYP2A6 (0.55) | CYP2A6CYP1A2ALDH1A1HSD17B10HPGD | |
| SCHEMBL5952012 | 0.68 | ALDH1A1 (0.48) | CYP2A6CYP1A2ALDH1A1HSD17B10HPGD | |
| SCHEMBL29352143 | 0.68 | CYP1A2 (1.00) | CYP2A6CYP1A2ALDH1A1HSD17B10HPGD | |
| SCHEMBL598829 | 0.68 | CYP1A2 (1.00) | CYP2A6CYP1A2ALDH1A1HSD17B10HPGD | |
| Ammonia Solution, Strong SCHEMBL27919233 | 0.66 | CYP1A2 (0.95) | CYP2A6CYP1A2ALDH1A1HSD17B10HPGD | |
| SCHEMBL597802 | 0.66 | CYP1A2 (0.63) | CYP2A6CYP1A2ALDH1A1HSD17B10HPGD | |
| SCHEMBL598859 | 0.66 | CYP1A2 (0.63) | CYP2A6CYP1A2ALDH1A1HSD17B10HPGD |
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 |