Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.63 |
| ▸ | TSHR | P16473 | 2/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.59 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | MAPT | P10636 | 5/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | DPP4 | P27487 | 1/20 | 0.53 |
| ▸ | PREP | P48147 | 1/20 | 0.53 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | RAF1 | P04049 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | GFER | P55789 | 1/20 | 0.52 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.52 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL4818648 | 0.90 | CYP3A4 (0.69) | CYP3A4TSHRCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7369400 | 0.87 | TTR (0.67) | CYP3A4TSHRCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4825935 | 0.87 | CYP3A4 (0.69) | CYP3A4TSHRCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL30639036 | 0.87 | CYP3A4 (0.69) | CYP3A4TSHRCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3824914 | 0.85 | ALDH1A1 (0.63) | CYP3A4TSHRCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7103159 | 0.84 | VCAM1 (0.65) | TSHRCYP2C19ALDH1A1MAPTLMNA | |
| SCHEMBL7369813 | 0.81 | SLC22A6 (0.89) | CYP3A4TSHRCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8017650 | 0.81 | LMNA (0.61) | CYP3A4TSHRCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL5073540 | 0.81 | CYP1A2 (0.69) | CYP3A4TSHRCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4818707 | 0.80 | TUBB4A (0.62) | CYP3A4TSHRCYP1A2CYP2C9CYP2C19 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5705703-A | ENZYME INHIBITORS OF TRANSFERASES | HOFFMANN-LA ROCHE INC. (US) | 1998-01-06 | — | — | US | disclosed |
| US-5633371-A | ENZYME INHIBITORS; TREATMENT OF DEPRESSION AND PARKINSON*S DISEASE | HOFFMANN-LA ROCHE INC. (US) | 1997-05-27 | — | — | US | disclosed |
| US-5476875-A | Catechol derivatives | HOFFMAN-LA ROCHE INC. (US) | 1995-12-19 | — | — | US | disclosed |
| US-5389653-A | Inhibitors of the enzyme catechol-O-methyltransferase; useful as co-medication in treatment of Parkinson's disease | HOFFMAN-LA ROCHE INC. (US) | 1995-02-14 | — | — | US | disclosed |
| US-5236952-A | Inhibit the enzyme catechol-O-methyltransferase; for treatment of Parkinson's disease administered with L-dopa | HOFFMANN-LA ROCHE INC. (US) | 1993-08-17 | — | — | US | disclosed |