Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
| ▸ | CA7 | P43166 | 1/20 | 0.57 |
| ▸ | CA9 | Q16790 | 1/20 | 0.57 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.57 |
| ▸ | TTR | P02766 | 1/20 | 0.53 |
| ▸ | DPP4 | P27487 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | FDPS | P14324 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | CNKSR1 | Q969H4 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 2/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | P2RY12 | Q9H244 | 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 | |
|---|---|---|---|---|
| SCHEMBL20153503 | 0.86 | CA12 (0.60) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1914010 | 0.83 | CA12 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1914006 | 0.83 | CA12 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL20153730 | 0.83 | CA12 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3629522 | 0.83 | KDM4E (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL476408 | 0.83 | CA12 (0.60) | CA12CA1CA2CA7CA9 | |
| SCHEMBL476409 | 0.83 | CA12 (0.60) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4416144 | 0.82 | CA12 (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4416140 | 0.82 | CA12 (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL563578 | 0.81 | CA12 (0.58) | CA12CA1CA2CA7CA9 |
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-2018089357-A1 | INDAZOLE DERIVATIVES AS αV INTEGRIN ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-05-17 | — | — | WO | disclosed |