Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VKORC1 | Q9BQB6 | 2/20 | 0.85 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | HTR2C | P28335 | 2/20 | 0.42 |
| ▸ | HTR2B | P41595 | 2/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.42 |
| ▸ | NQO1 | P15559 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TNKS | O95271 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TOP2A | P11388 | 1/20 | 0.38 |
| ▸ | PRNP | P04156 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9640911 | 1.00 | VKORC1 (0.85) | VKORC1THRBHTR2AHTR2CHTR2B | |
| SCHEMBL9641963 | 1.00 | VKORC1 (0.85) | VKORC1THRBHTR2AHTR2CHTR2B | |
| SCHEMBL9642577 | 1.00 | VKORC1 (0.85) | VKORC1THRBHTR2AHTR2CHTR2B | |
| SCHEMBL10644371 | 0.93 | VKORC1 (0.73) | VKORC1NQO1TP53LMNAHPGD | |
| Brodifacoum SCHEMBL29455095 | 0.92 | VKORC1 (1.00) | VKORC1THRBHTR2AHTR2CHTR2B | |
| Brodifacoum SCHEMBL435133 | 0.92 | VKORC1 (1.00) | VKORC1THRBHTR2AHTR2CHTR2B | |
| SCHEMBL10688149 | 0.87 | VKORC1 (0.89) | VKORC1THRBNQO1TP53TNKS | |
| SCHEMBL25202475 | 0.86 | VKORC1 (0.82) | VKORC1THRBNQO1TNKSLMNA | |
| SCHEMBL29904783 | 0.85 | VKORC1 (0.86) | VKORC1NQO1TP53LMNAHPGD | |
| SCHEMBL24003588 | 0.85 | VKORC1 (0.86) | VKORC1NQO1TP53LMNAHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-0147052-B1 | RODENTICIDES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-09-09 | — | — | EP | disclosed |
| US-4783481-A | TRANS ISOMER OF 3-SUBSTITUTED-4-HYDROXYCOUMARIN | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-11-08 | — | — | US | disclosed |
| EP-0147052-A2 | Rodenticides | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-07-03 | — | — | EP | disclosed |