Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | PRCP | P42785 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | TLR2 | O60603 | 1/20 | 0.33 |
| ▸ | CCNK | O75909 | 1/20 | 0.33 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.33 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6981100 | 0.88 | PRCP (0.40) | CTSKPRCPMEN1KMT2ADPP7 | |
| SCHEMBL27491105 | 0.83 | CTSK (0.48) | CTSKSMN1; SMN2CYP1A2CYP2C19NPC1 | |
| SCHEMBL6972556 | 0.76 | — | — | |
| SCHEMBL6979220 | 0.76 | NPC1 (0.41) | SMN1; SMN2NPC1RAB9AALDH1A1HSP90AA1 | |
| SCHEMBL6970503 | 0.76 | PRCP (0.39) | PRCPHDAC6DPP7KDM4ECCNK | |
| SCHEMBL6976548 | 0.76 | MAOA (0.46) | SMN1; SMN2CYP1A2NPC1RAB9AMAPT | |
| SCHEMBL6976777 | 0.74 | MAOB (0.43) | MAPT | |
| SCHEMBL8666366 | 0.74 | HDAC6 (0.45) | CTSKSMN1; SMN2CYP1A2CYP2C19NPC1 | |
| SCHEMBL6976622 | 0.74 | SMYD3 (0.41) | SMN1; SMN2CYP1A2CYP2C19NPC1RAB9A | |
| SCHEMBL6976837 | 0.73 | F2 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0833839-B1 | PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS | ORTHO PHARMA CORP (US) | 2003-01-08 | — | — | EP | claimed |