Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.54 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | 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) | PDCD1CD274CYP2D6CYP1A2ALDH1A1 | |
| SCHEMBL23145181 | 0.79 | HPGD (0.42) | HPGDCYP2D6CYP1A2CYP2C9ALDH1A1 | |
| SCHEMBL20633414 | 0.78 | CYP1A2 (0.46) | CYP2D6CYP1A2CYP2C9ALDH1A1CYP3A4 | |
| SCHEMBL25052826 | 0.77 | HPGD (0.46) | HPGDCYP2D6CYP1A2CYP2C9ALDH1A1 | |
| SCHEMBL14240265 | 0.77 | HPGD (0.46) | HPGDCYP2D6CYP1A2CYP2C9ALDH1A1 | |
| SCHEMBL18389855 | 0.77 | CYP3A4 (0.59) | HPGDCYP2D6CYP1A2CYP2C9ALDH1A1 | |
| SCHEMBL31425405 | 0.77 | CYP3A4 (0.45) | CYP2D6CYP1A2CYP2C9ALDH1A1CYP3A4 | |
| SCHEMBL20521136 | 0.77 | CYP2D6 (0.42) | CYP2D6CYP1A2CYP2C9ALDH1A1CYP3A4 | |
| SCHEMBL18390606 | 0.76 | CYP3A4 (0.48) | HPGDCYP2D6CYP1A2CYP2C9ALDH1A1 | |
| SCHEMBL23763011 | 0.76 | CYP2D6 (0.50) | CD274CYP2D6CYP1A2CYP2C9ALDH1A1 |
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 |