Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.33 |
| ▸ | CES1 | P23141 | 2/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 4/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | AHR | P35869 | 2/20 | 0.31 |
| ▸ | PARP1 | P09874 | 2/20 | 0.31 |
| ▸ | DAO | P14920 | 1/20 | 0.30 |
| ▸ | DDO | Q99489 | 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 | |
|---|---|---|---|---|
| SCHEMBL20356033 | 0.80 | CYP1A2 (0.35) | CES2CES1BCHEARPGR | |
| SCHEMBL13755386 | 0.75 | CYP1A2 (0.36) | — | |
| SCHEMBL5250290 | 0.75 | ACHE (0.39) | HPGDSMN1; SMN2PARP1 | |
| SCHEMBL5250287 | 0.75 | CYP1A2 (0.33) | — | |
| SCHEMBL20356032 | 0.71 | CYP1A2 (0.35) | CES2CES1BCHEARPGR | |
| SCHEMBL7306395 | 0.71 | CES2 (0.33) | CES2CES1 | |
| SCHEMBL7305545 | 0.70 | CES2 (0.34) | CES2CES1BCHEARNPC1 | |
| SCHEMBL7305440 | 0.68 | CYP1A2 (0.33) | CES2CES1BCHEARNPC1 | |
| SCHEMBL7716701 | 0.67 | CYP1A2 (0.39) | CES2CES1BCHENPC1AHR | |
| SCHEMBL15352162 | 0.66 | CES2 (0.39) | CES2CES1BCHENPC1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-5629406-A | AMINO ACID DERIVATIVES | SANKYO COMPANY, LIMITED (JP) | 1997-05-13 | — | — | US | disclosed |
| EP-0587311-A1 | Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use | SANKYO COMPANY LIMITED (JP) | 1994-03-16 | — | — | EP | disclosed |