Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 2/20 | 0.34 |
| ▸ | CNR2 | P34972 | 5/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CCR2 | P41597 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.30 |
| ▸ | HTR4 | Q13639 | 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 | |
|---|---|---|---|---|
| SCHEMBL8222741 | 0.83 | PIK3CD (0.36) | PIK3CDSIGMAR1NPC1RAB9AKCNH3 | |
| SCHEMBL7287796 | 0.79 | SIGMAR1 (0.37) | PIK3CDSIGMAR1CCR2NPC1RAB9A | |
| SCHEMBL19936066 | 0.78 | SIGMAR1 (0.40) | PIK3CDSIGMAR1KCNH3 | |
| SCHEMBL31654141 | 0.77 | PIK3CD (0.37) | PIK3CDCNR2SIGMAR1CCR2NPC1 | |
| SCHEMBL22148870 | 0.76 | PIK3CD (0.32) | PIK3CDSIGMAR1 | |
| SCHEMBL2253720 | 0.76 | TDP1 (0.37) | PIK3CDCNR2CCR2NPC1RAB9A | |
| SCHEMBL24171101 | 0.71 | PIK3CD (0.31) | PIK3CDSIGMAR1 | |
| SCHEMBL10104157 | 0.71 | PIK3CD (0.31) | PIK3CDSIGMAR1 | |
| SCHEMBL26718853 | 0.71 | PIK3CD (0.31) | PIK3CDSIGMAR1 | |
| SCHEMBL9891788 | 0.71 | BACE1 (0.41) | PIK3CDCNR2NPC1RAB9ACYP1A2 |
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-0602209-A1 | OXYTOCIN ANTAGONIST | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-06-22 | — | — | EP | disclosed |
| WO-1994001113-A1 | OXYTOCIN ANTAGONIST | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1994-01-20 | — | — | WO | disclosed |