Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.54 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.54 |
| ▸ | NAMPT | P43490 | 6/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21206403 | 0.86 | PDCD1 (0.68) | PDCD1CD274ATMCYP1A2MAPK1 | |
| SCHEMBL23144511 | 0.75 | HSD11B1 (0.44) | NAMPTHSD17B10CYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL21198778 | 0.75 | PDCD1 (0.49) | PDCD1CD274NAMPTHSD17B10CYP3A4 | |
| SCHEMBL21198779 | 0.75 | PDCD1 (0.49) | PDCD1CD274NAMPTHSD17B10CYP3A4 | |
| SCHEMBL4034019 | 0.74 | HSD17B10 (0.53) | NAMPTHSD17B10CYP1A2MAPK1SMN1; SMN2 | |
| SCHEMBL21206406 | 0.74 | PDCD1 (0.54) | PDCD1CD274NAMPTHSD17B10ATM | |
| SCHEMBL8628664 | 0.72 | ATM (0.68) | ATMCYP1A2MAPK1SMN1; SMN2ALDH1A1 | |
| SCHEMBL11490504 | 0.71 | CYP1A2 (0.55) | ATMCYP1A2MAPK1SMN1; SMN2ALDH1A1 | |
| SCHEMBL21199640 | 0.70 | PDCD1 (1.00) | PDCD1CD274ATMSMN1; SMN2CYP3A4 | |
| SCHEMBL4077133 | 0.68 | CYP3A4 (0.49) | NAMPTHSD17B10CYP1A2ALDH1A1CYP3A4 |
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-2019147662-A1 | 2,8-DIACYL-2,8-DIAZASPIRO[5.5]UNDECANE COMPOUNDS USEFUL AS IMMUNOMODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2019-08-01 | — | — | WO | disclosed |