Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ACE | P12821 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.34 |
| ▸ | BRS3 | P32247 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6171617 | 0.80 | SLC22A12 (0.38) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5913277 | 0.80 | HRH4 (0.62) | HRH4CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL5913510 | 0.80 | HRH4 (0.62) | HRH4CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8691873 | 0.80 | HRH4 (0.62) | HRH4CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7444911 | 0.76 | HRH4 (0.44) | HRH4CPB2LMNAMAPTALDH1A1 | |
| SCHEMBL7472228 | 0.72 | CYP1A2 (0.38) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8695524 | 0.72 | HRH4 (0.54) | HRH4CYP1A2CYP3A4CYP2C19LMNA | |
| SCHEMBL6940934 | 0.71 | CYP3A4 (0.42) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL12208517 | 0.70 | CYP3A4 (0.46) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8215510 | 0.69 | BRS3 (0.41) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 |
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-6136842-A | INHIBITION OF ENDOTHELIN-CONVERTING ENZYME | HOECHST MARION ROUSSEL (FR) | 2000-10-24 | — | — | US | disclosed |
| CN-1218467-A | Sulphur derivatives comprising amide bond, method for preparing same, use thereof as drugs, and pharmaceutical compositions containing such derivatives | HOEST MARION RUSO S A (FR) | 1999-06-02 | — | — | CN | disclosed |