Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.58 |
| ▸ | TXN | P10599 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.52 |
| ▸ | HPGD | P15428 | 6/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | FBP1 | P09467 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.45 |
| ▸ | DRD1 | P21728 | 1/20 | 0.45 |
| ▸ | MC5R | P33032 | 1/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL29351180 | 0.93 | CYP1A2 (0.65) | CYP1A2CYP2D6TXNALDH1A1HPGD | |
| SCHEMBL212831 | 0.93 | CYP1A2 (0.65) | CYP1A2CYP2D6TXNALDH1A1HPGD | |
| SCHEMBL11536996 | 0.92 | CYP1A2 (0.63) | CYP1A2CYP2D6TXNALDH1A1HPGD | |
| SCHEMBL9694295 | 0.84 | CYP1A2 (0.55) | CYP1A2CYP2D6TXNALDH1A1HPGD | |
| Cyclohexane SCHEMBL8022380 | 0.83 | ALDH1A1 (0.63) | CYP1A2CYP2D6TXNALDH1A1HPGD | |
| SCHEMBL6678044 | 0.82 | CYP1A2 (0.65) | CYP1A2CYP2D6TXNALDH1A1HPGD | |
| SCHEMBL11295898 | 0.80 | CYP1A2 (0.62) | CYP1A2CYP2D6TXNALDH1A1HPGD | |
| SCHEMBL11611123 | 0.80 | ALDH1A1 (0.67) | CYP1A2CYP2D6TXNALDH1A1HPGD | |
| SCHEMBL11753237 | 0.80 | TXN (0.64) | CYP1A2CYP2D6TXNALDH1A1HPGD | |
| SCHEMBL28872273 | 0.80 | TXN (0.57) | CYP1A2CYP2D6TXNALDH1A1HPGD |
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-0150168-B1 | USE OF METAL SALTS OF THIOSULPHURIC -S-ESTERS AS RUBBER/METAL BONDING PROMOTERS | MONSANTO EUROPE S.A./N.V. (BE) | 1991-05-08 | — | — | EP | claimed |
| EP-0109955-B1 | RUBBER/METAL COMPOSITES | MONSANTO EUROPE S.A./N.V. (BE) | 1988-01-20 | — | — | EP | claimed |