Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.60 |
| ▸ | CA1 | P00915 | 1/20 | 0.60 |
| ▸ | CA2 | P00918 | 1/20 | 0.60 |
| ▸ | CA9 | Q16790 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.54 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.54 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.54 |
| ▸ | CES2 | O00748 | 2/20 | 0.53 |
| ▸ | CES1 | P23141 | 2/20 | 0.53 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.52 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.50 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.46 |
| ▸ | GSK3B | P49841 | 2/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL8042651 | 1.00 | CA12 (0.60) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL15428914 | 0.86 | NR4A1 (0.60) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL13864065 | 0.83 | NFE2L2 (0.59) | NR4A1NR4A2NR4A3CES2CES1 | |
| SCHEMBL8364647 | 0.82 | ALDH1A1 (0.67) | CA12CA1CA2CA9NR4A1 | |
| SCHEMBL4285935 | 0.82 | ALDH1A1 (0.67) | CA12CA1CA2CA9NR4A1 | |
| SCHEMBL8364646 | 0.82 | ALDH1A1 (0.67) | CA12CA1CA2CA9NR4A1 | |
| SCHEMBL25142176 | 0.81 | NR4A1 (0.54) | CYP1A2NR4A1NR4A2NR4A3CES2 | |
| SCHEMBL26147577 | 0.81 | NR4A1 (0.64) | NR4A1NR4A2NR4A3CES2CES1 | |
| SCHEMBL20924840 | 0.80 | CES2 (0.59) | CA12CA1CA2CA9CES2 | |
| SCHEMBL8040824 | 0.79 | CA1 (0.67) | CA12CA1CA2CA9CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0868420-B1 | 3-PYRAZOLECARBOXAMIDE DERIVATIVES HAVING CANNABINOID RECEPTOR AFFINITY | SANOFI SYNTHELABO (FR) | 2000-03-29 | — | — | EP | disclosed |
| EP-0885889-A2 | Process for the preparation of pyrazole-3-carboxylic acids | SANOFI (FR) | 1998-12-23 | — | — | EP | disclosed |
| EP-0868420-A1 | 3-PYRAZOLECARBOXAMIDE DERIVATIVES HAVING CANNABINOID RECEPTOR AFFINITY | SANOFI (FR) | 1998-10-07 | — | — | EP | disclosed |
| WO-1997021682-A1 | 3-PYRAZOLECARBOXAMIDE DERIVATIVES HAVING CANNABINOID RECEPTOR AFFINITY | SANOFI (FR) | 1997-06-19 | — | — | WO | disclosed |