Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.41 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.41 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL8040833 | 1.00 | CA12 (0.55) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL8040803 | 0.84 | CYP1A2 (0.50) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL8040804 | 0.84 | CYP1A2 (0.50) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL8367198 | 0.83 | MAPT (0.69) | CA12CA1CA2CA9CES2 | |
| SCHEMBL8367195 | 0.83 | MAPT (0.69) | CA12CA1CA2CA9CES2 | |
| SCHEMBL8029217 | 0.79 | ALDH1A1 (0.68) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL8029219 | 0.79 | ALDH1A1 (0.68) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL23706285 | 0.74 | CA12 (0.55) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL8046161 | 0.74 | TSHR (0.57) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL8046164 | 0.74 | TSHR (0.57) | 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 |