Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.63 |
| ▸ | P2RX7 | Q99572 | 9/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 2/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 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 | |
|---|---|---|---|---|
| SCHEMBL8511496 | 1.00 | PTGDR2 (0.63) | PTGDR2P2RX7EPHX2NPC1RAB9A | |
| SCHEMBL8510948 | 0.77 | PTGDR2 (1.00) | PTGDR2P2RX7NPC1RAB9AALDH1A1 | |
| SCHEMBL8510947 | 0.77 | PTGDR2 (1.00) | PTGDR2P2RX7NPC1RAB9AALDH1A1 | |
| SCHEMBL1195590 | 0.74 | NPC1 (0.73) | PTGDR2P2RX7NPC1RAB9A | |
| SCHEMBL3828501 | 0.73 | NPC1 (0.57) | PTGDR2P2RX7NPC1RAB9A | |
| SCHEMBL11253889 | 0.72 | P2RX7 (0.59) | PTGDR2P2RX7NPC1RAB9A | |
| SCHEMBL8512705 | 0.71 | NPC1 (0.54) | PTGDR2P2RX7NPC1RAB9A | |
| SCHEMBL28975691 | 0.70 | EPHX2 (0.73) | EPHX2NPC1RAB9AKDM1A | |
| SCHEMBL29818081 | 0.69 | EPHX2 (0.60) | EPHX2NPC1RAB9AALDH1A1LMNA | |
| SCHEMBL11250187 | 0.69 | P2RX7 (0.57) | PTGDR2P2RX7NPC1RAB9ALMNA |
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 4 patents. 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 | claimed |
| EP-2457900-A1 | New pyrazole derivatives having CRTh2 antagonistic behaviour | Almirall, S.A. (ES) | 2012-05-30 | — | — | EP | claimed |
| WO-2012069175-A1 | NEW PYRAZOLE DERIVATIVES HAVING CRTH2 ANTAGONISTIC BEHAVIOUR | ALMIRALL, S.A. (ES) | 2012-05-31 | — | — | WO | disclosed |
| EP-2457900-A1 | New pyrazole derivatives having CRTh2 antagonistic behaviour | Almirall, S.A. (ES) | 2012-05-30 | — | — | EP | disclosed |