Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPM1B | O75688 | 1/20 | 0.46 |
| ▸ | IKBKB | O14920 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ACMSD | Q8TDX5 | 3/20 | 0.40 |
| ▸ | HNF4A | P41235 | 2/20 | 0.40 |
| ▸ | DCLRE1A | Q6PJP8 | 1/20 | 0.39 |
| ▸ | DCLRE1B | Q9H816 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8001509 | 0.83 | AKR1C2 (0.40) | IKBKBKDM4EMAPTLMNAHSD17B10 | |
| SCHEMBL7998363 | 0.77 | ACLY (0.47) | KMT2AMCL1ACLY | |
| SCHEMBL7994070 | 0.77 | MAPT (0.37) | KDM4EKMT2AGAAMAPTALDH1A1 | |
| SCHEMBL7997826 | 0.77 | DCLRE1B (0.43) | ALDH1A1LMNAACMSDHNF4ADCLRE1A | |
| SCHEMBL2575452 | 0.77 | PPM1B (0.71) | PPM1BIKBKBKDM4EKMT2AGAA | |
| SCHEMBL30456877 | 0.77 | PPM1B (0.71) | PPM1BIKBKBKDM4EKMT2AGAA | |
| SCHEMBL7997774 | 0.77 | KMO (0.54) | GAAMAPTLMNAKMOTDP1 | |
| SCHEMBL3793566 | 0.72 | IKBKB (0.73) | PPM1BIKBKBKDM4EKMT2AGAA | |
| SCHEMBL23499274 | 0.71 | PPM1B (0.79) | PPM1BIKBKBKDM4EKMT2AGAA | |
| SCHEMBL29908977 | 0.71 | PPM1B (0.79) | PPM1BIKBKBKDM4EKMT2AGAA |
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 |