Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | KCNB1 | Q14721 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CFTR | P13569 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL6618430 | 0.93 | ALDH1A1 (0.38) | ALDH1A1USP2KDM4ENPC1CASP3 | |
| SCHEMBL6618373 | 0.92 | NPC1 (0.39) | ALDH1A1USP2KDM4ENPC1RAB9A | |
| SCHEMBL6616388 | 0.92 | NAMPT (0.37) | LMNAHTTNPSR1KCNB1DRD2 | |
| SCHEMBL6620487 | 0.91 | CHRNA7 (0.37) | ALDH1A1KDM4ENPC1CASP3RAB9A | |
| SCHEMBL6617100 | 0.91 | NPC1 (0.40) | ALDH1A1NPC1CASP3RAB9ASENP7 | |
| SCHEMBL6615797 | 0.90 | DRD2 (0.43) | ALDH1A1KDM4ENPC1RAB9ALMNA | |
| SCHEMBL6617191 | 0.90 | SMN1; SMN2 (0.41) | ALDH1A1USP2KDM4ENPC1RAB9A | |
| SCHEMBL6616479 | 0.90 | EPHX2 (0.38) | ALDH1A1KDM4ENPC1CASP3RAB9A | |
| SCHEMBL6617596 | 0.89 | KDM4E (0.40) | ALDH1A1KDM4EKMT2APOLBGAA | |
| SCHEMBL6617920 | 0.89 | KMT2A (0.40) | ALDH1A1USP2KDM4ENPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1458379-A1 | HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | Pharmacia Italia S.p.A. (IT) | 2004-09-22 | — | — | EP | claimed |
| WO-2003051358-A1 | HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | PHARMACIA ITALIA SPA (IT) | 2003-06-26 | — | — | WO | claimed |