Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9178589 | 0.83 | MAPT (0.51) | GAAKDM4EMAPTRAB9ANPC1 | |
| SCHEMBL5639160 | 0.79 | MAPT (0.48) | GAAKDM4EMAPTRAB9ANPC1 | |
| SCHEMBL9181853 | 0.73 | KMT2A (0.47) | KDM4EMAPTRAB9AALDH1A1HPGD | |
| SCHEMBL9377708 | 0.71 | KMT2A (0.39) | GAAKDM4EMAPTRAB9ANPC1 | |
| SCHEMBL28958552 | 0.71 | KDM4E (0.48) | KDM4EMAPTRAB9ANPC1ALDH1A1 | |
| SCHEMBL10745135 | 0.70 | RAB9A (0.46) | GAAMAPTRAB9ANPC1ALDH1A1 | |
| SCHEMBL9724185 | 0.67 | KDM4E (0.37) | KDM4EMAPTRAB9AALDH1A1HPGD | |
| SCHEMBL24484518 | 0.66 | ALDH1A1 (0.46) | GAAKDM4EMAPTRAB9ANPC1 | |
| SCHEMBL17918272 | 0.66 | METAP1 (0.44) | GAAKDM4EMAPTRAB9ANPC1 | |
| SCHEMBL9177945 | 0.66 | CA12 (0.44) | KDM4EMAPTRAB9ANPC1ALDH1A1 |
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 |