Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F13A1 | P00488 | 3/20 | 0.39 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | P2RX3 | P56373 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7407211 | 0.89 | P2RX3 (0.41) | CDK1P2RX3MAPTCYP3A4ERN1 | |
| SCHEMBL7417469 | 0.82 | ERN1 (0.48) | TBXA2RMAPTERN1 | |
| SCHEMBL7418340 | 0.75 | XDH (0.42) | MAPTCYP3A4 | |
| SCHEMBL7409495 | 0.71 | ERN1 (0.46) | P2RX3MAPTERN1 | |
| SCHEMBL1527116 | 0.70 | CDK1 (0.76) | CDK1MAPTRXFP1ERN1 | |
| SCHEMBL28598391 | 0.69 | ERN1 (0.44) | CDK1MAPTERN1 | |
| SCHEMBL31672996 | 0.69 | MAPT (0.55) | F13A1MAPTRXFP1 | |
| SCHEMBL2727106 | 0.67 | DHODH (0.45) | TBXA2R | |
| SCHEMBL2724844 | 0.67 | DHODH (0.45) | TBXA2R | |
| SCHEMBL2727507 | 0.67 | DHODH (0.45) | TBXA2R |
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-6150412-A | SUCH AS 4-(5-HYDROXY-4-METHOXY-2-NITROPHENYL)BUTANOIC ACID; ADMINISTERING TO INHIBIT CATECHOL-O-METHYL TRANSFERASE; TREATING PARKINSON'S DISEASE OR HYPERTENSION | ORION-YHTYMA OY (FI) | 2000-11-21 | — | — | US | disclosed |
| WO-1996037456-A1 | NEW CATECHOL DERIVATIVES | Orion-Yhtymä Oy (FI) | 1996-11-28 | — | — | WO | disclosed |