Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.34 |
| ▸ | RELA | Q04206 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 10/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 4/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5877427 | 0.82 | CYP1A2 (0.50) | CA1CA2CA7CYP1A2CYP2C9 | |
| SCHEMBL8076050 | 0.82 | CA1 (0.35) | CA1CA2CA7CYP1A2CYP2C9 | |
| SCHEMBL19427034 | 0.82 | CA2 (0.35) | CA1CA2CA7CYP1A2CYP2C9 | |
| SCHEMBL16760 | 0.81 | CA12 (0.41) | CA1CA2CA7CYP1A2CYP2C9 | |
| SCHEMBL3105952 | 0.81 | CA1 (0.40) | CA1CA2CA7CYP1A2CYP2C9 | |
| SCHEMBL79739 | 0.75 | CA1 (0.40) | CA1CA2CA7CA12CA14 | |
| SCHEMBL2461102 | 0.75 | CA1 (0.40) | CA1CA2CA7CA12CA14 | |
| SCHEMBL28274006 | 0.72 | CA1 (0.34) | CA1CA2CA7CYP1A2CYP2C9 | |
| SCHEMBL8303184 | 0.71 | CYP2C9 (0.50) | CA1CA2CA7CYP1A2CYP2C9 | |
| SCHEMBL7674937 | 0.71 | CYP2C9 (0.41) | CA1CA2CA7CYP1A2CYP2C9 |
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-2017176608-A1 | MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80/PD-L1 PROTEIN/PROTEIN INTERACTIONS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-10-12 | — | — | WO | disclosed |