Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9018802 | 0.89 | CYP1A2 (0.39) | CYP1A2CYP2A6TSHRLMNANR4A2 | |
| SCHEMBL190658 | 0.76 | — | — | |
| SCHEMBL8487863 | 0.74 | CYP1A2 (0.35) | CYP1A2CYP2A6TSHRLMNAALDH1A1 | |
| SCHEMBL27928635 | 0.74 | CYP2A6 (0.47) | CYP1A2CYP2A6TSHRLMNANR4A2 | |
| SCHEMBL1968215 | 0.69 | — | — | |
| SCHEMBL13816926 | 0.69 | CYP1A2 (0.38) | CYP1A2CYP2A6TSHRLMNANR4A2 | |
| SCHEMBL3658340 | 0.66 | — | — | |
| SCHEMBL8488464 | 0.65 | LMNA (0.35) | TSHRLMNAALDH1A1 | |
| SCHEMBL10378510 | 0.64 | CYP1A2 (0.43) | CYP1A2CYP2A6TSHRLMNANR4A2 | |
| Hydrochloric Acid SCHEMBL2001788 | 0.64 | TSHR (0.52) | CYP1A2CYP2A6TSHRLMNANR4A2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |