Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.60 |
| ▸ | HPGD | P15428 | 7/20 | 0.60 |
| ▸ | NPC1 | O15118 | 5/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.60 |
| ▸ | MEN1 | O00255 | 5/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.60 |
| ▸ | RAB9A | P51151 | 4/20 | 0.60 |
| ▸ | LMNA | P02545 | 4/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30374884 | 0.81 | ALDH1A1 (1.00) | ALDH1A1KDM4EHPGDNPC1SMN1; SMN2 | |
| SCHEMBL4791757 | 0.81 | ALDH1A1 (1.00) | ALDH1A1KDM4EHPGDNPC1SMN1; SMN2 | |
| SCHEMBL9387632 | 0.75 | DAO (0.65) | ALDH1A1KDM4EHPGDNPC1SMN1; SMN2 | |
| SCHEMBL20382321 | 0.75 | ALDH1A1 (0.64) | ALDH1A1KDM4EHPGDNPC1SMN1; SMN2 | |
| SCHEMBL10070259 | 0.75 | CYP1A2 (0.60) | ALDH1A1KDM4EHPGDSMN1; SMN2MEN1 | |
| SCHEMBL5453934 | 0.74 | ALDH1A1 (0.53) | ALDH1A1KDM4EHPGDNPC1SMN1; SMN2 | |
| SCHEMBL13933160 | 0.74 | NPC1 (0.81) | ALDH1A1KDM4EHPGDNPC1SMN1; SMN2 | |
| SCHEMBL8210976 | 0.74 | NGFR (0.67) | ALDH1A1KDM4EHPGDNPC1SMN1; SMN2 | |
| SCHEMBL9724182 | 0.74 | KDM4E (1.00) | ALDH1A1KDM4EHPGDNPC1SMN1; SMN2 | |
| SCHEMBL13961356 | 0.73 | ALDH1A1 (0.55) | ALDH1A1KDM4EHPGDNPC1SMN1; SMN2 |
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 |