Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.36 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.36 |
| ▸ | NT5E | P21589 | 1/20 | 0.36 |
| ▸ | FABP4 | P15090 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | RAD52 | P43351 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9724211 | 0.84 | NT5E (0.39) | KDM4ECYP2C19CYP3A4HIF1ALMNA | |
| SCHEMBL28576143 | 0.81 | NT5E (0.55) | KDM4ECYP2C19LMNACYP1A2CYP2D6 | |
| SCHEMBL9380126 | 0.81 | LMNA (0.62) | KDM4ECYP2C19CYP3A4HIF1ALMNA | |
| SCHEMBL1599148 | 0.80 | KDM4E (0.51) | KDM4ECYP2C19CYP3A4HIF1ALMNA | |
| SCHEMBL9724146 | 0.79 | LMNA (0.64) | KDM4ECYP2C19LMNACYP1A2CYP2D6 | |
| SCHEMBL9724181 | 0.79 | PRKAB2 (0.36) | KDM4ECYP2C19CYP3A4HIF1ACYP4F2 | |
| SCHEMBL9724264 | 0.78 | CYP4F2 (0.41) | KDM4ECYP2C19CYP3A4HIF1ALMNA | |
| SCHEMBL16256881 | 0.78 | ALDH1A1 (0.40) | KDM4ECYP2C19CYP3A4HIF1ALMNA | |
| SCHEMBL9724179 | 0.77 | L3MBTL1 (0.39) | KDM4ECYP2C19CYP3A4HIF1ALMNA | |
| SCHEMBL485686 | 0.75 | NT5E (0.65) | KDM4ECYP2C19CYP3A4HIF1ALMNA |
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-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 |