Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM4 | Q14833 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | CCNC | P24863 | 2/20 | 0.34 |
| ▸ | CDK8 | P49336 | 2/20 | 0.34 |
| ▸ | PDE2A | O00408 | 2/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.33 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | LATS1 | O95835 | 2/20 | 0.32 |
| ▸ | LATS2 | Q9NRM7 | 1/20 | 0.32 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | CCR8 | P51685 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.31 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.31 |
| ▸ | METAP2 | P50579 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3818490 | 0.80 | NPC1 (0.38) | CDK8CCR1CCR8CYP1A2METAP2 | |
| SCHEMBL11223005 | 0.76 | MAOA (0.33) | MAOAMAOB | |
| SCHEMBL21295820 | 0.74 | GRM4 (0.42) | GRM4CYP19A1MAOAMAOBCCNC | |
| SCHEMBL28422395 | 0.72 | KMT2A (0.40) | CYP19A1TDP1CCR1CCR8CYP1A2 | |
| SCHEMBL3423341 | 0.72 | CCNC (0.50) | GRM4CYP19A1MAOAMAOBCCNC | |
| SCHEMBL28138764 | 0.70 | IDO1 (0.40) | GRM4CCR1CCR8 | |
| SCHEMBL2397171 | 0.70 | MAPT (0.42) | CYP19A1CYP1A2CYP17A1 | |
| SCHEMBL751581 | 0.70 | HDAC8 (0.33) | CCR1CCR8CYP1A2 | |
| SCHEMBL973260 | 0.69 | CYP2A6 (0.53) | CYP19A1CYP2A6CYP1A2 | |
| SCHEMBL10205409 | 0.69 | CYP2A6 (0.48) | GRM4CYP19A1CYP2A6TDP1CCR1 |
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-2023139085-A1 | NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2023-07-27 | — | — | WO | disclosed |