Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 16/20 | 0.62 |
| ▸ | RAB9A | P51151 | 15/20 | 0.62 |
| ▸ | MEN1 | O00255 | 11/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 11/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.60 |
| ▸ | MAPT | P10636 | 6/20 | 0.60 |
| ▸ | NFKB1 | P19838 | 4/20 | 0.60 |
| ▸ | NFKB2 | Q00653 | 4/20 | 0.60 |
| ▸ | RELA | Q04206 | 4/20 | 0.60 |
| ▸ | TP53 | P04637 | 3/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.57 |
| ▸ | MECP2 | P51608 | 1/20 | 0.56 |
| ▸ | KCNN1 | Q92952 | 1/20 | 0.56 |
| ▸ | KCNN2 | Q9H2S1 | 1/20 | 0.56 |
| ▸ | MBD2 | Q9UBB5 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL4241589 | 0.91 | NPC1 (0.59) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL4241658 | 0.86 | NPC1 (0.58) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL4244511 | 0.85 | NPC1 (0.66) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL2532075 | 0.83 | NPC1 (0.67) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL4239711 | 0.82 | NPC1 (0.62) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL4243648 | 0.80 | NPC1 (0.43) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL4235797 | 0.80 | KDR (0.40) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL7552748 | 0.79 | NPC1 (0.91) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL16217145 | 0.77 | NPC1 (1.00) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| Bromide SCHEMBL7669000 | 0.77 | NPC1 (0.88) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009010871-A2 | PYRAZOLE DERIVATIVES AS ANTAGONISTS OF ADENOSINE A3 RECEPTOR | ADDEX PHARMA S.A. (CH) | 2009-01-22 | — | — | WO | disclosed |