Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ANPEP | P15144 | 1/20 | 0.41 |
| ▸ | CTSD | P07339 | 9/20 | 0.39 |
| ▸ | CTSB | P07858 | 2/20 | 0.37 |
| ▸ | CTSK | P43235 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.36 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.36 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.36 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.36 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.36 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.35 |
| ▸ | CTRB1 | P17538 | 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 | |
|---|---|---|---|---|
| SCHEMBL9296296 | 0.77 | MEN1 (0.35) | ANPEPCTSD | |
| SCHEMBL7329720 | 0.73 | CTSB (0.53) | CTSDCTSBCTSKKLK5 | |
| SCHEMBL7321482 | 0.71 | CTSD (0.65) | CTSDBACE1KLK5 | |
| SCHEMBL7324603 | 0.70 | CTSD (0.42) | CTSDCTSBCTSK | |
| SCHEMBL27285691 | 0.69 | CTSD (0.41) | ANPEPCTSDPSEN1PSEN2APH1B | |
| SCHEMBL7324038 | 0.68 | CTSD (0.40) | CTSDCYP3A4MAPK1 | |
| SCHEMBL29498143 | 0.67 | ALDH1A1 (0.66) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL8894290 | 0.67 | CTSD (0.66) | ANPEPCTSDALDH1A1THRBCYP2C9 | |
| SCHEMBL7329323 | 0.67 | CTSD (0.69) | CTSDKLK5 | |
| SCHEMBL7321442 | 0.67 | CTSD (0.69) | CTSDKLK5 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0594586-A4 | HIV PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 1994-08-17 | — | — | EP | disclosed |
| EP-0594586-A1 | HIV PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1994-05-04 | — | — | EP | disclosed |
| WO-1991010442-A1 | HIV PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1991-07-25 | — | — | WO | disclosed |