Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 5/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL9018854 | 0.89 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19TSHR | |
| SCHEMBL100731 | 0.79 | — | — | |
| SCHEMBL30338255 | 0.79 | — | — | |
| SCHEMBL8576872 | 0.79 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2C9CYP2C19TSHR | |
| Methane SCHEMBL27908574 | 0.77 | TSHR (0.48) | CYP1A2CYP3A4CYP2C9CYP2C19TSHR | |
| SCHEMBL5315533 | 0.70 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19TSHR | |
| SCHEMBL16555998 | 0.70 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19TSHR | |
| SCHEMBL8485779 | 0.69 | LMNA (0.33) | TSHRLMNAMAPTL3MBTL1 | |
| SCHEMBL4968573 | 0.69 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2C9CYP2C19TSHR | |
| SCHEMBL2548458 | 0.69 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2C9CYP2C19TSHR |
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 |