Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 4/20 | 0.39 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.38 |
| ▸ | TOP2A | P11388 | 1/20 | 0.38 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | CDK9 | P50750 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ACACB | O00763 | 1/20 | 0.37 |
| ▸ | ACACA | Q13085 | 1/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 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 | |
|---|---|---|---|---|
| SCHEMBL9724144 | 0.83 | LMNA (0.48) | LCKADORA3ADORA2BMEN1NPC1 | |
| SCHEMBL9383680 | 0.83 | NPC1 (0.41) | ADORA3ADORA2BNPC1GAARAB9A | |
| SCHEMBL30908480 | 0.80 | SCN9A (0.43) | SCN9ALCKTOP2ATOP2BAKT1 | |
| SCHEMBL9377882 | 0.76 | MALT1 (0.42) | LCKKLKB1AKT1CYP17A1CDK9 | |
| SCHEMBL9378492 | 0.76 | P2RX3 (0.39) | SCN9ALCKKLKB1AKT1CYP17A1 | |
| SCHEMBL22941806 | 0.75 | KCNQ4 (0.45) | AKT1CYP17A1NPC1GAARAB9A | |
| SCHEMBL167992 | 0.73 | IGF1R (0.47) | SCN9AAKT1CYP17A1 | |
| SCHEMBL28706165 | 0.72 | LCK (0.60) | LCKNPC1RAB9A | |
| SCHEMBL29506736 | 0.72 | LCK (0.60) | LCKNPC1RAB9A | |
| SCHEMBL540467 | 0.71 | NAMPT (0.49) | SCN9AAKT1CYP17A1MEN1RAB9A |
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 |