Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | F10 | P00742 | 4/20 | 0.48 |
| ▸ | F2 | P00734 | 2/20 | 0.48 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.48 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.48 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.48 |
| ▸ | PARP1 | P09874 | 3/20 | 0.47 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.47 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.42 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28594276 | 0.84 | NTRK1 (0.56) | ALDH1A1HPGDGAAKMT2ANTRK1 | |
| SCHEMBL5698186 | 0.82 | KLKB1 (0.61) | ALDH1A1F10F2PRSS1PRSS2 | |
| SCHEMBL5698206 | 0.81 | F10 (0.56) | ALDH1A1HPGDF10F2PRSS1 | |
| SCHEMBL11778309 | 0.80 | ALDH1A1 (0.65) | ALDH1A1HPGDF10F2PRSS1 | |
| SCHEMBL28634607 | 0.76 | POLB (0.49) | ALDH1A1HPGDGAAKMT2ANTRK1 | |
| SCHEMBL28594274 | 0.75 | NTRK1 (0.56) | ALDH1A1HPGDGAAKMT2ANTRK1 | |
| SCHEMBL18623228 | 0.75 | KLKB1 (0.68) | F10F2PRSS1PRSS2PRSS3 | |
| SCHEMBL5698187 | 0.74 | KLKB1 (0.57) | ALDH1A1F10F2PRSS1PRSS2 | |
| SCHEMBL3850358 | 0.74 | NTRK1 (0.55) | ALDH1A1HPGDGAAKMT2ANTRK1 | |
| SCHEMBL15362559 | 0.73 | CYP1A2 (0.64) | ALDH1A1HPGDF10F2PRSS1 |
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-1679073-A1 | 2-(PHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID-N-4-(IMINO-HETEROCYCLYL)-PHENYL-AMIDE DERIVATIVES AND RELATES COMPOUNDS FOR USE AS INHIBITORS OF THE COAGULATION FACTORS XA AND/OR VIIA FOR TREATING THROMBOSES | MERCK PATENT GmbH (DE) | 2006-07-12 | — | — | EP | disclosed |
| EP-1517685-A1 | 2-(PHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID-N-4-(THIOXO-HETEROCYCLYL)-PHENYL-AMIDE DERIVATIVES AND CORRESPONDING IMINO-HETEROCYCLYL DERIVATIVES AND RELATES COMPOUNDS FOR USE AS INHIBITORS OF THE COAGULATION FACTORS XA AND/OR VIIA FOR TREATING THROMBOSES | MERCK PATENT GmbH (DE) | 2005-03-30 | — | — | EP | disclosed |
| WO-2004002477-A1 | 2-(PHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID-N-4-(THIOXO-HETEROCYCLYL)-PHENYL-AMIDE DERIVATIVES AND CORRESPONDING IMINO-HETEROCYCLYL DERIVATIVES AND RELATES COMPOUNDS FOR USE AS INHIBITORS OF THE COAGULATION FACTORS XA AND/OR VIIA FOR TREATING THROMBOSES | MERCK PATENT GMBH (DE) | 2004-01-08 | — | — | WO | disclosed |