Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.39 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.39 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PLK1 | P53350 | 1/20 | 0.36 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9343857 | 0.92 | TDP1 (0.41) | TDP1ALDH1A1CYP3A4TSHRHPGD | |
| SCHEMBL9341537 | 0.88 | TDP1 (0.44) | TDP1ALDH1A1CYP3A4TSHRHPGD | |
| SCHEMBL9343938 | 0.84 | TDP1 (0.45) | TDP1ALDH1A1CYP3A4TSHRHPGD | |
| SCHEMBL9730698 | 0.81 | GABRB3 (0.30) | — | |
| SCHEMBL9340434 | 0.81 | GABRA2 (0.35) | LMNANPSR1GAA | |
| SCHEMBL9730652 | 0.81 | ALDH1A1 (0.32) | ALDH1A1PTPN5 | |
| SCHEMBL9723051 | 0.80 | POLB (0.42) | TDP1ALDH1A1CYP3A4TSHRHPGD | |
| SCHEMBL9339580 | 0.79 | TDP1 (0.47) | TDP1ALDH1A1CYP3A4TSHRHPGD | |
| SCHEMBL9343914 | 0.79 | ALDH1A1 (0.41) | TDP1ALDH1A1CYP3A4TSHRHPGD | |
| SCHEMBL9732039 | 0.78 | ESR2 (0.31) | — |
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-5109004-A | Cyano phenyl-substituted with heterocylic compound; insecticides, miticides | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-04-28 | — | — | US | disclosed |
| EP-0398499-A2 | Insecticides | ZENECA LIMITED (GB) | 1990-11-22 | — | — | EP | disclosed |