Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.43 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.43 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8040803 | 1.00 | CYP1A2 (0.50) | CYP1A2CA12CA1CA2CA9 | |
| SCHEMBL8369833 | 0.84 | ALDH1A1 (0.63) | CA12CA1CA2CA9TAS1R3 | |
| SCHEMBL8369834 | 0.84 | ALDH1A1 (0.63) | CA12CA1CA2CA9TAS1R3 | |
| SCHEMBL8040827 | 0.84 | CA12 (0.55) | CYP1A2CA12CA1CA2CA9 | |
| SCHEMBL8046164 | 0.84 | TSHR (0.57) | CYP1A2CA12CA1CA2CA9 | |
| SCHEMBL8046161 | 0.84 | TSHR (0.57) | CYP1A2CA12CA1CA2CA9 | |
| SCHEMBL8040833 | 0.84 | CA12 (0.55) | CYP1A2CA12CA1CA2CA9 | |
| SCHEMBL5902813 | 0.82 | ALDH1A1 (0.46) | CYP1A2TAS1R3TAS1R1TAS1R2PTPN1 | |
| SCHEMBL5902812 | 0.82 | ALDH1A1 (0.46) | CYP1A2TAS1R3TAS1R1TAS1R2PTPN1 | |
| SCHEMBL7845572 | 0.77 | TAS1R3 (0.49) | CYP1A2TAS1R3TAS1R1TAS1R2MAOA |
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 2 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 |