Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.43 |
| ▸ | CTSG | P08311 | 3/20 | 0.43 |
| ▸ | CTRB1 | P17538 | 3/20 | 0.43 |
| ▸ | CMA1 | P23946 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.42 |
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8760921 | 0.81 | SMN1; SMN2 (0.50) | SMN1; SMN2NPC1RAB9AKMT2AKDM4E | |
| SCHEMBL8115153 | 0.77 | ALDH1A1 (0.58) | KMT2AMAPTKDM4EPOLBMMP8 | |
| SCHEMBL19663910 | 0.74 | MMP8 (0.46) | SMN1; SMN2KMT2AMAPTPOLBMMP8 | |
| SCHEMBL9290181 | 0.73 | MAPT (0.49) | SMN1; SMN2NPC1RAB9AGAAMAPT | |
| SCHEMBL8105819 | 0.73 | ALDH1A1 (0.45) | SMN1; SMN2KMT2AMAPTPOLBMMP8 | |
| SCHEMBL1222782 | 0.73 | SMN1; SMN2 (0.57) | SMN1; SMN2NPC1RAB9AGAAMAPT | |
| SCHEMBL2910521 | 0.72 | PIN1 (0.54) | SMN1; SMN2GAAKMT2AMAPTPOLB | |
| SCHEMBL395978 | 0.72 | PIN1 (0.54) | SMN1; SMN2KMT2AMAPTPOLBMMP8 | |
| SCHEMBL29156932 | 0.72 | CHRM2 (0.64) | SMN1; SMN2POLBMMP8NPSR1PIN1 | |
| Benzene SCHEMBL28258998 | 0.72 | PIN1 (0.54) | SMN1; SMN2KMT2AMAPTPOLBMMP8 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1773330-A4 | SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO INC (US) | 2009-01-21 | — | — | EP | disclosed |
| CN-1964947-A | Pyrazole derivatives, compositions containing the same and methods of use thereof | MERCK & CO INC (US) | 2007-05-16 | — | — | CN | disclosed |
| EP-1773330-A2 | SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | Merck & Co., Inc. (US) | 2007-04-18 | — | — | EP | disclosed |
| WO-2006014618-A2 | SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO., INC. (US) | 2006-02-09 | — | — | WO | disclosed |
| EP-0631571-A1 | PREPARATION OF OPTICALLY ACTIVE HYDRAZINES AND AMINES. | DU PONT (US) | 1995-01-04 | — | — | EP | disclosed |