Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.44 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.44 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.44 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.44 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Aniline SCHEMBL27910827 | 0.82 | BCAT2 (0.46) | CYP2C9CYP2C19BCAT2TSHRNPC1 | |
| Toluene SCHEMBL27309772 | 0.82 | LMNA (0.47) | BCAT2TSHRNPC1CES2CES1 | |
| Diphenylmethane SCHEMBL28763067 | 0.81 | PLA2G10 (0.53) | CYP2C9CYP2C19BCAT2TSHRNPC1 | |
| Chlorobenzene SCHEMBL28129348 | 0.81 | TSHR (0.42) | CYP2C9CYP2C19PLAAT3PLAAT5PLAAT2 | |
| Chlorobenzene SCHEMBL27868866 | 0.79 | TSHR (0.50) | CYP2C9CYP2C19TSHRNPC1ALDH1A1 | |
| Chlorobenzene SCHEMBL28128879 | 0.79 | TSHR (0.41) | PLAAT3PLAAT5PLAAT2PLAAT4TSHR | |
| SCHEMBL28002691 | 0.77 | KIF11 (0.45) | CYP2C9CYP2C19BCAT2NPC1ALDH1A1 | |
| Chlorobenzene SCHEMBL27555909 | 0.77 | TSHR (0.58) | CYP2C9CYP2C19TSHRNPC1ALDH1A1 | |
| Chlorobenzene SCHEMBL9576941 | 0.76 | TSHR (0.65) | CYP2C19TSHRNPC1ALDH1A1CES2 | |
| Chlorobenzene SCHEMBL27488158 | 0.76 | TSHR (0.65) | CYP2C19TSHRNPC1ALDH1A1CES2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108368068-A | Amino Zole derivatives | 帝人制药株式会社 | 2018-08-03 | — | — | CN | disclosed |