Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | KIF11 | P52732 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.43 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.42 |
| ▸ | GSK3B | P49841 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | CRHBP | P24387 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4984479 | 0.79 | HDAC1 (0.48) | ALDH1A1MAPTSRD5A2LMNANPC1 | |
| SCHEMBL182755 | 0.77 | CES2 (0.61) | CES2CES1ALDH1A1MAPTPTGS1 | |
| SCHEMBL1753793 | 0.76 | IDO1 (0.52) | CES2CES1IDO1RAB9A | |
| SCHEMBL261282 | 0.76 | CES2 (0.54) | CES2CES1KIF11ALDH1A1PTGS1 | |
| SCHEMBL4399783 | 0.75 | CES2 (0.48) | CES2CES1ALDH1A1PTGS1SRD5A2 | |
| SCHEMBL10919988 | 0.75 | CES2 (0.58) | CES2CES1KIF11ALDH1A1SRD5A2 | |
| Hydrochloric Acid SCHEMBL2108579 | 0.74 | IDO1 (0.50) | CES2CES1IDO1RAB9A | |
| SCHEMBL20997879 | 0.73 | CES2 (0.47) | CES2CES1ALDH1A1PTGS1SRD5A2 | |
| Hydrochloric Acid SCHEMBL4394743 | 0.73 | CES2 (0.47) | CES2CES1ALDH1A1PTGS1SRD5A2 | |
| SCHEMBL28477468 | 0.73 | RAB9A (0.57) | KIF11ALDH1A1MAPTLMNANPC1 |
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-0217519-B1 | 5-MEMBERED HETEROCYCLIC RING ANGIOTENSIN CONVERTING ENZYME INHIBITORS | FISONS plc (GB) | 1992-02-05 | — | — | EP | disclosed |
| US-4927822-A | HYPOTENSIVE | FISONS PLC (GB) | 1990-05-22 | — | — | US | disclosed |
| EP-0217519-A1 | 5-membered heterocyclic ring angiotensin converting enzyme inhibitors | FISONS plc (GB) | 1987-04-08 | — | — | EP | disclosed |