Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 9/20 | 0.40 |
| ▸ | CTSK | P43235 | 8/20 | 0.40 |
| ▸ | CTSL | P07711 | 6/20 | 0.40 |
| ▸ | ACLY | P53396 | 3/20 | 0.39 |
| ▸ | CTSB | P07858 | 5/20 | 0.38 |
| ▸ | CDC7 | O00311 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.36 |
| ▸ | DCLRE1A | Q6PJP8 | 1/20 | 0.35 |
| ▸ | DCLRE1B | Q9H816 | 1/20 | 0.35 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7998363 | 0.81 | ACLY (0.47) | ACLY | |
| SCHEMBL7997826 | 0.81 | DCLRE1B (0.43) | CTSSCTSKCTSLACLYCTSB | |
| SCHEMBL8001509 | 0.77 | AKR1C2 (0.40) | ROCK2GSK3BCLK4DCLRE1ADCLRE1B | |
| SCHEMBL7997590 | 0.75 | ACLY (0.45) | CTSSCTSKCTSLACLYCTSB | |
| SCHEMBL7997546 | 0.74 | PPM1B (0.46) | ACLYROCK2DCLRE1ADCLRE1BHDAC1 | |
| SCHEMBL7994070 | 0.74 | MAPT (0.37) | ACLYDCLRE1ADCLRE1BKDM4E | |
| SCHEMBL7997774 | 0.69 | KMO (0.54) | — | |
| SCHEMBL27985224 | 0.61 | SIRT2 (0.53) | ACLYHDAC1KDM4EAPOBEC3AGFER | |
| SCHEMBL4209068 | 0.61 | ACLY (0.77) | ACLYCDC7ROCK2MAP4K4GSK3B | |
| SCHEMBL4214999 | 0.59 | ACLY (0.54) | ACLYDCLRE1ADCLRE1BHDAC1 |
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 |