Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.44 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.44 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SENP8 | Q96LD8 | 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 | |
|---|---|---|---|---|
| SCHEMBL9723076 | 0.88 | TDP1 (0.45) | TDP1CYP3A4ALDH1A1HPGDALOX15 | |
| SCHEMBL9723126 | 0.87 | TDP1 (0.44) | TDP1CYP3A4ALDH1A1HPGDALOX15 | |
| SCHEMBL9340200 | 0.87 | TDP1 (0.44) | TDP1CYP3A4ALDH1A1HPGDALOX15 | |
| SCHEMBL9723112 | 0.85 | TDP1 (0.42) | TDP1CYP3A4ALDH1A1HPGDALOX15 | |
| SCHEMBL9723049 | 0.85 | TDP1 (0.42) | TDP1CYP3A4ALDH1A1HPGDALOX15 | |
| SCHEMBL9723050 | 0.84 | TDP1 (0.41) | TDP1CYP3A4ALDH1A1HPGDALOX15 | |
| SCHEMBL9723062 | 0.84 | CYP3A4 (0.42) | TDP1CYP3A4ALDH1A1HPGDALOX15 | |
| SCHEMBL9723034 | 0.84 | TDP1 (0.41) | TDP1CYP3A4ALDH1A1HPGDALOX15 | |
| SCHEMBL9343909 | 0.83 | TDP1 (0.46) | TDP1CYP3A4ALDH1A1HPGDALOX15 | |
| SCHEMBL9340421 | 0.82 | CYP3A4 (0.52) | TDP1CYP3A4ALDH1A1HPGDALOX15 |
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-0338686-B1 | Pyrimidinone derivatives | ZENECA LTD (GB) | 1994-06-22 | — | — | EP | disclosed |
| US-5149810-A | Chemical intermediates for insecticides | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-09-22 | — | — | US | disclosed |
| US-5077297-A | Insecticides | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-12-31 | — | — | US | disclosed |