Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.54 |
| ▸ | P2RX7 | Q99572 | 17/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3828501 | 0.86 | NPC1 (0.57) | NPC1RAB9APTGDR2P2RX7TSHR | |
| SCHEMBL11253889 | 0.85 | P2RX7 (0.59) | NPC1RAB9APTGDR2P2RX7 | |
| SCHEMBL1195590 | 0.84 | NPC1 (0.73) | NPC1RAB9APTGDR2P2RX7TSHR | |
| SCHEMBL9609107 | 0.83 | P2RX7 (0.47) | NPC1RAB9APTGDR2P2RX7TSHR | |
| SCHEMBL11250187 | 0.81 | P2RX7 (0.57) | NPC1RAB9APTGDR2P2RX7 | |
| SCHEMBL8511047 | 0.80 | PDE4B (0.62) | NPC1RAB9APTGDR2P2RX7 | |
| SCHEMBL11539322 | 0.77 | RAB9A (0.58) | NPC1RAB9APTGDR2P2RX7TSHR | |
| SCHEMBL1195287 | 0.77 | P2RX7 (0.57) | NPC1RAB9APTGDR2P2RX7TSHR | |
| SCHEMBL8514171 | 0.77 | PTGDR2 (0.62) | PTGDR2 | |
| SCHEMBL8512906 | 0.77 | NPC1 (0.62) | NPC1RAB9APTGDR2P2RX7TSHR |
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-2012069175-A1 | NEW PYRAZOLE DERIVATIVES HAVING CRTH2 ANTAGONISTIC BEHAVIOUR | ALMIRALL, S.A. (ES) | 2012-05-31 | — | — | WO | disclosed |