Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | HNF4A | P41235 | 2/20 | 0.39 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.39 |
| ▸ | DCLRE1A | Q6PJP8 | 1/20 | 0.38 |
| ▸ | DCLRE1B | Q9H816 | 1/20 | 0.38 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TSPO | P30536 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7997544 | 0.74 | IKBKB (0.50) | ACLYMAPTALDH1A1KDM4EHPGD | |
| SCHEMBL8001505 | 0.74 | AKR1C2 (0.45) | ACLYKDM4EHNF4AACMSDDCLRE1A | |
| SCHEMBL7994070 | 0.74 | MAPT (0.37) | ACLYMAPTALDH1A1KDM4EAGTR1 | |
| SCHEMBL11664085 | 0.72 | MAPT (0.43) | MAPTALDH1A1KDM4EAGTR1HPGD | |
| SCHEMBL7997824 | 0.70 | DCLRE1B (0.44) | ACLYALDH1A1HNF4AACMSDDCLRE1A | |
| SCHEMBL7997590 | 0.70 | ACLY (0.45) | ACLYKDM4E | |
| SCHEMBL16559082 | 0.70 | PGR (0.49) | MAPTALDH1A1KDM4EAGTR1HPGD | |
| SCHEMBL7997771 | 0.66 | KMO (0.58) | MAPTGAA | |
| SCHEMBL16559084 | 0.66 | PGR (0.49) | MAPTALDH1A1KDM4EAGTR1HPGD | |
| SCHEMBL4382246 | 0.65 | ACLY (0.61) | ACLYMAPTALDH1A1HNF4AACMSD |
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-0810858-A4 | BORONIC ACID AND ESTER INHIBITORS OF THROMBIN | DU PONT PHARM CO (US) | 2000-11-15 | — | — | EP | disclosed |
| EP-0810858-A2 | BORONIC ACID AND ESTER INHIBITORS OF THROMBIN | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-12-10 | — | — | EP | disclosed |
| WO-1996020689-A2 | BORONIC ACID AND ESTER INHIBITORS OF THROMBIN | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-07-11 | — | — | WO | disclosed |