Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IP6K1 | Q92551 | 1/20 | 0.35 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.35 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | TNF | P01375 | 2/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.30 |
| ▸ | PIM1 | P11309 | 1/20 | 0.30 |
| ▸ | AKT1 | P31749 | 1/20 | 0.30 |
| ▸ | FLT3 | P36888 | 1/20 | 0.30 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.30 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7219125 | 0.77 | DYRK1B (0.40) | IP6K1IP6K3IP6K2CYP4F2CYP4A11 | |
| SCHEMBL18449315 | 0.77 | TNF (0.50) | TNFKDM4ECYP3A4CYP2C19HTT | |
| SCHEMBL4420740 | 0.74 | PDE4A (0.48) | KDM4EHIF1AHTT | |
| SCHEMBL9380208 | 0.73 | LMNA (0.50) | PARP1TNFKDM4ECYP2C19HTT | |
| SCHEMBL10517765 | 0.73 | PARP1 (0.33) | PARP1TNF | |
| SCHEMBL5419594 | 0.72 | MASP2 (0.36) | KDM4ECYP2C19HTT | |
| SCHEMBL9724276 | 0.71 | CYP2C19 (0.48) | CYP4F2CYP4A11KDM4ECYP3A4CYP2C19 | |
| SCHEMBL1599285 | 0.70 | ALDH1A1 (0.47) | CYP4F2CYP4A11KDM4ECYP3A4CYP2C19 | |
| SCHEMBL1599148 | 0.70 | KDM4E (0.51) | CYP4F2CYP4A11KDM4ECYP3A4CYP2C19 | |
| SCHEMBL9724301 | 0.70 | CYP2C19 (0.50) | CYP4F2CYP4A11KDM4ECYP3A4CYP2C19 |
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-0318225-B1 | 6-Aryl aminomethyl quinoline derivatives and their use as anti-tumour agents | ICI PLC (GB) | 1994-03-16 | — | — | EP | disclosed |
| US-5112837-A | Inhibitors of thymidylate synthetase enzyme | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-05-12 | — | — | US | disclosed |
| EP-0318225-A2 | 6-Aryl aminomethyl quinoline derivatives and their use as anti-tumour agents | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-05-31 | — | — | EP | disclosed |