Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.73 |
| ▸ | CA2 | P00918 | 1/20 | 0.73 |
| ▸ | CA3 | P07451 | 1/20 | 0.73 |
| ▸ | CA6 | P23280 | 1/20 | 0.73 |
| ▸ | CA9 | Q16790 | 1/20 | 0.73 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.73 |
| ▸ | MMP3 | P08254 | 1/20 | 0.64 |
| ▸ | ESR1 | P03372 | 2/20 | 0.64 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.64 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.56 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.56 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 2/20 | 0.46 |
| ▸ | P4HB | P07237 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1344068 | 0.88 | LOXL2 (0.65) | CA12CA2CA3CA6CA9 | |
| SCHEMBL10355508 | 0.86 | CA2 (0.73) | CA12CA2CA3CA6CA9 | |
| 4-Cyanophenol SCHEMBL27294505 | 0.85 | CA2 (1.00) | CA12CA2CA3CA6CA9 | |
| 4-Cyanophenol SCHEMBL28811803 | 0.85 | CA2 (1.00) | CA12CA2CA3CA6CA9 | |
| 4-Cyanophenol SCHEMBL50814 | 0.85 | — | — | |
| 4-Cyanophenol SCHEMBL27413520 | 0.83 | CA2 (0.94) | CA12CA2CA3CA6CA9 | |
| 4-Cyanophenol SCHEMBL10685886 | 0.83 | CA2 (0.94) | CA12CA2CA3CA6CA9 | |
| 4-Cyanophenol SCHEMBL7393582 | 0.83 | CA2 (0.94) | CA12CA2CA3CA6CA9 | |
| 4-Cyanophenol SCHEMBL28089570 | 0.83 | CA2 (0.94) | CA12CA2CA3CA6CA9 | |
| SCHEMBL31591073 | 0.82 | SAE1 (0.56) | CA12CA2CA3CA6CA9 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0927035-A4 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2002-11-13 | — | — | EP | disclosed |
| US-6242654-B1 | REACTING A PHENOLATE COMPOUND WITH AN ORGANIC FLUORINATING AGENT TO PREPARE A FLUORINE SUBSTITUTED AROMATIC COMPOUND | MITSUI CHEMICALS, INC. (JP) | 2001-06-05 | — | — | US | disclosed |
| EP-1013629-A1 | Preparation process of fluorine subsituted aromatic compound | Mitsui Chemicals, Inc. (JP) | 2000-06-28 | — | — | EP | disclosed |
| EP-0927035-A1 | THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 1999-07-07 | — | — | EP | disclosed |
| US-5872138-A | INHIBITING LOSS OF BLOOD PLATELETS, INHIBITING FORMATION OF BLOOD PLATELET AGGREGATES, INHIBITING FORMATION OF FIBRIN, INHIBITING THROMBUS FORMATION, AND INHIBITING EMBOLUS FORMATION IN A MAMMAL | MERCK & CO., INC. (US) | 1999-02-16 | — | — | US | disclosed |
| WO-1998010763-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1998-03-19 | — | — | WO | disclosed |