Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | GAA | P10253 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | THRA | P10827 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | BCL2 | P10415 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | LCK | P06239 | 1/20 | 0.34 |
| ▸ | PRKACA | P17612 | 1/20 | 0.34 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.34 |
| ▸ | PRKACG | P22612 | 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 | |
|---|---|---|---|---|
| SCHEMBL7451274 | 0.86 | KDM4E (0.41) | KDM4EGAAMAPTALDH1A1CASP1 | |
| SCHEMBL7445727 | 0.73 | KDM4E (0.42) | KDM4EGAAMAPTALDH1A1KMT2A | |
| SCHEMBL7451227 | 0.71 | KDM4E (0.40) | KDM4EGAAMAPTALDH1A1KMT2A | |
| SCHEMBL11150472 | 0.68 | GAA (0.69) | KDM4EGAAMAPTALDH1A1CASP1 | |
| SCHEMBL8136318 | 0.67 | GABRA1 (0.57) | KDM4EGAAMAPTKMT2AMEN1 | |
| SCHEMBL7214008 | 0.66 | BCL2 (0.39) | GAACYP1A2CYP3A4BCL2MCL1 | |
| SCHEMBL17536174 | 0.64 | CYP1A2 (0.41) | KDM4EGAAMAPTALDH1A1CASP1 | |
| SCHEMBL2532344 | 0.63 | GABRA1 (0.47) | MAPTALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7455775 | 0.63 | KDM4E (0.41) | KDM4EGAAMAPTALDH1A1CASP1 | |
| Hydrogen Peroxide SCHEMBL9644435 | 0.63 | GABRA1 (0.56) | KMT2ACYP1A2CYP3A4BCL2MCL1 |
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-1124822-A4 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2002-04-03 | — | — | EP | disclosed |
| EP-1124822-A1 | THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2001-08-22 | — | — | EP | disclosed |
| WO-2000026211-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2000-05-11 | — | — | WO | disclosed |