Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | RAD52 | P43351 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ALPL | P05186 | 1/20 | 0.37 |
| ▸ | ALPG | P10696 | 1/20 | 0.37 |
| ▸ | PLAA | Q9Y263 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | GNG2 | P59768 | 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 | |
|---|---|---|---|---|
| SCHEMBL12638631 | 0.83 | CYP1A2 (0.52) | KDM4EALDH1A1HPGDGAACYP3A4 | |
| SCHEMBL9724225 | 0.81 | ALDH1A1 (0.39) | KDM4EALDH1A1HPGDGAACYP3A4 | |
| SCHEMBL9380126 | 0.80 | LMNA (0.62) | KDM4EALDH1A1HPGDGAACYP3A4 | |
| SCHEMBL9724298 | 0.78 | MAPT (0.40) | KDM4EALDH1A1HPGDGAACYP3A4 | |
| SCHEMBL9724218 | 0.78 | DOT1L (0.49) | KDM4EALDH1A1HPGDKMT2APOLB | |
| SCHEMBL4966064 | 0.77 | ALDH1A1 (0.55) | KDM4EALDH1A1GAACYP2C19KMT2A | |
| SCHEMBL29923741 | 0.77 | ALDH1A1 (0.55) | KDM4EALDH1A1GAACYP2C19KMT2A | |
| SCHEMBL3760247 | 0.77 | LMNA (0.61) | KDM4EALDH1A1GAACYP3A4CYP2C19 | |
| SCHEMBL9724254 | 0.76 | ESRRB (0.38) | KDM4EALDH1A1HPGDGAACYP3A4 | |
| SCHEMBL4748554 | 0.74 | POLB (0.53) | KDM4EALDH1A1KMT2APOLBLMNA |
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 |