Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 6/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL24533216 | 0.76 | ALDH1A1 (0.58) | ALDH1A1KEAP1NFE2L2HPGDKDM4E | |
| SCHEMBL22408257 | 0.72 | KMT2A (0.33) | ALDH1A1KEAP1NFE2L2HPGDKDM4E | |
| SCHEMBL17767227 | 0.71 | F2 (0.37) | ALDH1A1KDM4EMAPTLMNAHSD17B10 | |
| SCHEMBL21144481 | 0.71 | HPGD (0.67) | ALDH1A1KEAP1NFE2L2HPGDKDM4E | |
| SCHEMBL10005933 | 0.70 | HPGD (0.70) | ALDH1A1KEAP1NFE2L2HPGDKDM4E | |
| SCHEMBL22408085 | 0.68 | GAA (0.33) | ALDH1A1KEAP1NFE2L2HPGDKDM4E | |
| SCHEMBL22407860 | 0.68 | ALDH1A1 (0.32) | ALDH1A1KEAP1NFE2L2HPGDKDM4E | |
| SCHEMBL21886096 | 0.67 | HRH4 (0.40) | ALDH1A1KEAP1NFE2L2HPGDKDM4E | |
| SCHEMBL16826531 | 0.67 | KIF11 (0.50) | ALDH1A1HPGDKDM4ESMN1; SMN2GAA | |
| SCHEMBL28183336 | 0.66 | ABCB1 (0.53) | ALDH1A1HPGDKDM4ESMN1; SMN2CYP1A2 |
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 |