Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | PGR | P06401 | 6/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MIF | P14174 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.38 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL177345 | 0.85 | CYP2A6 (0.52) | CYP2A6PGRALDH1A1IDO1NOS3 | |
| SCHEMBL6211730 | 0.81 | HSD17B3 (0.36) | PGRMEN1GLAKMT2AMIF | |
| SCHEMBL17401006 | 0.78 | CYP2A6 (0.48) | CYP2A6PGRMEN1GLAKMT2A | |
| SCHEMBL11550694 | 0.78 | CYP2A6 (0.60) | CYP2A6PGRMEN1GLAKMT2A | |
| SCHEMBL5034778 | 0.76 | CYP2A6 (0.46) | CYP2A6PGRMEN1GLAKMT2A | |
| SCHEMBL5028054 | 0.76 | CYP2A6 (0.46) | CYP2A6PGRMIFCA9 | |
| SCHEMBL8718369 | 0.74 | MIF (0.49) | MEN1GLAKMT2AMIFCA9 | |
| SCHEMBL15842472 | 0.74 | MIF (0.71) | CYP2A6PGRMEN1GLAKMT2A | |
| SCHEMBL9431131 | 0.73 | PGR (0.63) | CYP2A6PGRMEN1GLAKMT2A | |
| SCHEMBL18585563 | 0.73 | CYP2A6 (0.43) | CYP2A6PGRMEN1GLAKMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0918768-B1 | AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS | C & C RES LAB (KR) | 2002-01-09 | — | — | EP | disclosed |
| US-6201006-B1 | ANTICOAGULANTS | C & C RESEARCH LABORATORIES (KR) | 2001-03-13 | — | — | US | disclosed |
| EP-0918768-A1 | AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS | C & C Research Laboratories (KR) | 1999-06-02 | — | — | EP | disclosed |
| WO-1997045424-A1 | AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS | C & C RESEARCH LABORATORIES (KR) | 1997-12-04 | — | — | WO | disclosed |