Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.36 |
| ▸ | IFNAR1 | P17181 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.34 |
| ▸ | NPY1R | P25929 | 1/20 | 0.34 |
| ▸ | NPY2R | P49146 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8779777 | 0.91 | CYP1A2 (0.43) | CYP1A2CYP2A6IFNAR1ALDH1A1LMNA | |
| SCHEMBL2647 | 0.78 | ALDH1A1 (0.53) | CYP1A2CYP2A6ALDH1A1TSHRHSD17B10 | |
| SCHEMBL8488437 | 0.77 | CYP1A2 (0.35) | CYP1A2CYP2A6IFNAR1ALDH1A1LMNA | |
| SCHEMBL10410487 | 0.76 | ALDH1A1 (0.50) | CYP1A2CYP2A6ALDH1A1TSHRHSD17B10 | |
| SCHEMBL7330141 | 0.76 | ALDH1A1 (0.50) | CYP1A2CYP2A6ALDH1A1TSHRHSD17B10 | |
| SCHEMBL7739907 | 0.76 | ALDH1A1 (0.50) | CYP1A2CYP2A6ALDH1A1TSHRHSD17B10 | |
| Potassium SCHEMBL10410489 | 0.76 | ALDH1A1 (0.50) | CYP1A2CYP2A6ALDH1A1TSHRHSD17B10 | |
| Bromide SCHEMBL8663740 | 0.73 | CA1 (0.42) | CYP1A2ALDH1A1TSHRHSD17B10CYP2C9 | |
| SCHEMBL27851728 | 0.72 | ALDH1A1 (0.46) | CYP1A2CYP2A6ALDH1A1TSHRHSD17B10 | |
| SCHEMBL29217978 | 0.72 | IFNAR1 (0.41) | CYP1A2CYP2A6IFNAR1ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-5932731-A | HYDROLYZING A HETEROAROMATIC HALOGENATED METHYL SULFIDE IN PRESENCE OF AN ACID | SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) | 1999-08-03 | — | — | US | disclosed |
| US-5741933-A | HYDROLYSIS; OXIDATION | SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) | 1998-04-21 | — | — | US | disclosed |