Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.37 |
| ▸ | RAB9A | P51151 | 5/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 2/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.34 |
| ▸ | RELA | Q04206 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.34 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL6581999 | 0.69 | CSNK2A2 (0.57) | NPC1RAB9ALMNA | |
| SCHEMBL6585131 | 0.69 | MTNR1A (0.46) | ALDH1A1MAPTHPGDL3MBTL1MMP9 | |
| SCHEMBL7890086 | 0.67 | HTT (0.43) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL17295890 | 0.64 | CYP1A2 (0.55) | NPC1RAB9ACASP3SENP7CYP1A2 | |
| SCHEMBL19149202 | 0.64 | CYP1A2 (0.55) | NPC1RAB9ACASP3SENP7CYP1A2 | |
| SCHEMBL6438107 | 0.63 | CYP1A2 (0.57) | NPC1RAB9ACASP3SENP7CYP1A2 | |
| SCHEMBL27941075 | 0.63 | MAPT (0.58) | ALDH1A1KDM4EMAPTGAA | |
| SCHEMBL14580025 | 0.62 | CYP1A2 (0.49) | NPC1RAB9ACASP3SENP7CYP1A2 | |
| SCHEMBL4678770 | 0.62 | PTPN1 (0.49) | MAPT | |
| SCHEMBL505821 | 0.62 | AKR1C3 (0.55) | CYP1A2CYP2A6ALDH1A1KDM4EHPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0945440-B1 | AMINOPYRAZOLE DERIVATIVES | BANYU PHARMA CO LTD (JP) | 2004-05-26 | — | — | EP | claimed |