Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 12/20 | 0.52 |
| ▸ | RAB9A | P51151 | 11/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | KLF5 | Q13887 | 2/20 | 0.46 |
| ▸ | NAMPT | P43490 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 3/20 | 0.45 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | AGBL2 | Q5U5Z8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6618994 | 0.93 | NPC1 (0.49) | NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL6616734 | 0.89 | RAB9A (0.48) | NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL6622810 | 0.86 | SMN1; SMN2 (0.42) | NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL6618762 | 0.86 | MAPT (0.49) | NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL6616194 | 0.85 | RAB9A (0.46) | NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL6617539 | 0.85 | NPC1 (0.46) | NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL6620121 | 0.85 | CASP3 (0.50) | NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL6613875 | 0.85 | RAB9A (0.47) | NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL6615036 | 0.85 | MAPT (0.47) | NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL6620827 | 0.85 | MAPT (0.49) | NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A |
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 |