Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | RAD52 | P43351 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12638631 | 0.84 | CYP1A2 (0.52) | KDM4ECYP3A4CYP2C19HIF1AALDH1A1 | |
| SCHEMBL1598629 | 0.82 | ESR1 (0.37) | KDM4ECYP3A4CYP2C19HIF1AALDH1A1 | |
| SCHEMBL2539722 | 0.81 | KDM4E (0.76) | KDM4ECYP3A4CYP2C19HIF1AALDH1A1 | |
| SCHEMBL9724208 | 0.78 | KMT2A (0.51) | KDM4ECYP3A4ALDH1A1CYP1A2KMT2A | |
| SCHEMBL9724225 | 0.76 | ALDH1A1 (0.39) | KDM4ECYP3A4CYP2C19HIF1AALDH1A1 | |
| SCHEMBL9724344 | 0.73 | MAPT (0.45) | KDM4ECYP3A4CYP2C19HIF1AALDH1A1 | |
| SCHEMBL9724124 | 0.72 | CYP2C19 (0.49) | KDM4ECYP3A4CYP2C19HIF1AALDH1A1 | |
| SCHEMBL362901 | 0.72 | CYP1A2 (0.64) | KDM4EALDH1A1CYP1A2HPGDKMT2A | |
| SCHEMBL1599346 | 0.71 | BACE1 (0.31) | — | |
| SCHEMBL9724145 | 0.71 | KDM4E (0.38) | KDM4ECYP3A4CYP2C19HIF1AALDH1A1 |
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 |