Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.42 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.42 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.35 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | AKT2 | P31751 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL10972725 | 0.83 | PDCD1 (0.43) | PDCD1CD274ERBB2ESR2PARP10 | |
| SCHEMBL29201425 | 0.80 | PDCD1 (0.41) | PDCD1CD274ERBB2ESR2PARP10 | |
| SCHEMBL5501718 | 0.75 | ALDH1A1 (0.44) | ESR2ALDH1A1CYP2A6MAPK1TRPA1 | |
| SCHEMBL9792869 | 0.72 | PDCD1 (0.54) | PDCD1CD274ESR2PARP10PARP11 | |
| Ammonia Solution, Strong SCHEMBL9346396 | 0.72 | CD274 (0.47) | PDCD1CD274ERBB2ESR2PARP10 | |
| SCHEMBL6067573 | 0.72 | PDCD1 (0.39) | PDCD1CD274ESR2PARP10PARP11 | |
| SCHEMBL14963930 | 0.70 | PTGS1 (0.39) | PDCD1CD274ERBB2ESR2ALDH1A1 | |
| SCHEMBL20500632 | 0.70 | SQOR (0.38) | PDCD1CD274ALDH1A1TSHRSQOR | |
| SCHEMBL24051152 | 0.70 | PDCD1 (0.53) | PDCD1CD274ESR2PARP10PARP11 | |
| SCHEMBL24570750 | 0.70 | ESR2 (0.45) | PDCD1CD274ESR2PARP10PARP11 |
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-3041822-A1 | COMPOUNDS USEFUL AS IMMUNOMODULATORS | Bristol-Myers Squibb Company (US) | 2016-07-13 | — | — | EP | disclosed |
| WO-2015034820-A1 | COMPOUNDS USEFUL AS IMMUNOMODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-03-12 | — | — | WO | disclosed |