Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 3/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.38 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24608566 | 0.81 | RAB9A (0.40) | ATRCA12CA1CA9NAMPT | |
| SCHEMBL7223042 | 0.79 | CA12 (0.39) | CA12CA1CA9LCKCYP17A1 | |
| SCHEMBL27345606 | 0.77 | ATR (0.42) | ATRCA1NAMPTLCKCYP17A1 | |
| SCHEMBL30611739 | 0.76 | GAA (0.39) | ATRNAMPTCYP17A1MAPKAPK2RXFP1 | |
| SCHEMBL19968758 | 0.76 | RAB9A (0.40) | ATRNAMPTLCKCYP17A1RAB9A | |
| SCHEMBL14116753 | 0.75 | PKM (0.50) | ATRNAMPTCYP17A1PSMB8 | |
| SCHEMBL25944089 | 0.73 | ATR (0.40) | ATRCA12CA1CA9NAMPT | |
| SCHEMBL1566862 | 0.72 | RAB9A (0.52) | ATRNAMPTLCKCYP17A1RAB9A | |
| SCHEMBL13055402 | 0.71 | CYP17A1 (0.59) | CA12CA1CA9NAMPTCYP17A1 | |
| SCHEMBL9109986 | 0.71 | CYP17A1 (0.41) | ATRNAMPTCYP17A1RAB9ASMN1; SMN2 |
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 |