Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | PPARA | Q07869 | 14/20 | 0.52 |
| ▸ | PPARG | P37231 | 12/20 | 0.52 |
| ▸ | AR | P10275 | 1/20 | 0.52 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL23605996 | 0.95 | CYP1A2 (0.53) | CYP1A2TSHRCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL16531880 | 0.93 | HPGD (0.51) | CYP1A2TSHRCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL15363175 | 0.89 | PPARA (0.50) | CYP1A2TSHRCYP2D6CYP2C9CYP2C19 | |
| Ethane SCHEMBL16527642 | 0.88 | CYP1A2 (0.47) | CYP1A2TSHRCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL21129084 | 0.87 | CYP1A2 (0.56) | CYP1A2TSHRCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL25997018 | 0.87 | CYP1A2 (0.56) | CYP1A2TSHRCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL27512257 | 0.86 | AR (0.55) | CYP1A2TSHRCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL16527641 | 0.85 | CYP1A2 (0.46) | CYP1A2TSHRCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL25997687 | 0.85 | CYP1A2 (0.55) | CYP1A2TSHRCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL21991754 | 0.84 | PPARA (0.52) | CYP1A2TSHRCYP2D6CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109563071-A | Chemical compound as ATF4 approach restrainer | 葛兰素史密斯克莱知识产权发展有限公司 | 2019-04-02 | — | — | CN | disclosed |
| US-4348534-A | Preparation of 2-aryloxy-2-haloproptonic acid compounds | BASF AKTIENGESELLSCHAFT (DE) | 1982-09-07 | — | — | US | disclosed |