Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | CA4 | P22748 | 1/20 | 0.55 |
| ▸ | CA6 | P23280 | 1/20 | 0.55 |
| ▸ | CA7 | P43166 | 1/20 | 0.55 |
| ▸ | TPMT | P51580 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.55 |
| ▸ | PDE4A | P27815 | 8/20 | 0.51 |
| ▸ | PDE4B | Q07343 | 8/20 | 0.51 |
| ▸ | PDE4C | Q08493 | 8/20 | 0.51 |
| ▸ | PDE4D | Q08499 | 8/20 | 0.51 |
| ▸ | PLAU | P00749 | 1/20 | 0.51 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL29521706 | 0.85 | TSHR (0.70) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL184025 | 0.85 | TSHR (0.70) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL10316380 | 0.85 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL4773731 | 0.84 | CA12 (0.53) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL2040708 | 0.84 | CA12 (0.72) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| Hydrochloric Acid SCHEMBL8590467 | 0.83 | TSHR (0.68) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL8569127 | 0.82 | MAPT (0.67) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| Chloroform SCHEMBL28859137 | 0.80 | TSHR (0.63) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL27976009 | 0.79 | CYP1A2 (0.62) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL18648672 | 0.78 | CYP3A4 (0.50) | CYP3A4CA12CA1CA2CA9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6323227-B1 | PRODRUGS | AVENTIS PHARMACEUTICALS PRODUCTS INC. | 2001-11-27 | — | — | US | disclosed |
| US-6140504-A | Substituted intermediate compounds for the preparation of n-[(aminoiminomethyl or aminomethyl)phenyl]propyl amides | AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) | 2000-10-31 | — | — | US | disclosed |
| US-6080767-A | Substituted n-[(aminoiminomethyl or aminomethyl)phenyl]propyl amides | AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) | 2000-06-27 | — | — | US | disclosed |