Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.42 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.42 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.42 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.42 |
| ▸ | CPB2 | Q96IY4 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.37 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.37 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.36 |
| ▸ | ATR | Q13535 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL10386996 | 0.82 | CYP2D6 (0.43) | CYP2D6SLC6A2SLC6A4SLC6A3SCN9A | |
| SCHEMBL8061081 | 0.82 | GABRP (0.47) | CYP2D6SLC6A2SLC6A4SLC6A3SCN9A | |
| SCHEMBL31108808 | 0.80 | PDGFRB (0.48) | CYP2D6SLC6A2SLC6A4SLC6A3SCN9A | |
| SCHEMBL362230 | 0.80 | PDGFRB (0.48) | CYP2D6SLC6A2SLC6A4SLC6A3SCN9A | |
| SCHEMBL9193384 | 0.80 | CYP2D6 (0.45) | CYP2D6SLC6A2SLC6A4SLC6A3SCN9A | |
| SCHEMBL13963743 | 0.80 | CYP2D6 (0.48) | CYP2D6SLC6A2SLC6A4SLC6A3SCN9A | |
| SCHEMBL2421365 | 0.80 | KMT2A (0.51) | ALDH1A1MAPK1MEN1KMT2ARXFP1 | |
| SCHEMBL9195960 | 0.78 | CA5A (0.40) | ALDH1A1MAPK1MEN1KMT2ARXFP1 | |
| SCHEMBL2750787 | 0.78 | KMT2A (0.43) | ALDH1A1MAPK1MEN1KMT2ARXFP1 | |
| SCHEMBL9446832 | 0.78 | SCN9A (0.40) | CYP2D6SLC6A2SLC6A4SLC6A3SCN9A |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9365612-B2 | Caspase inhibitors | UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2016-06-14 | — | — | US | disclosed |
| EP-0299277-B1 | Process for the preparation of substituted pyridyl-alkyl ketones | BAYER AG (DE) | 1995-10-18 | — | — | EP | disclosed |
| EP-0302227-B1 | 5-HALO-6-AMINO-NICOTINIC ACID HALIDES, THEIR PREPARATION AND THEIR USE | BAYER AG (DE) | 1993-01-13 | — | — | EP | disclosed |
| EP-0244728-B1 | USE OF HETEROARYLETHYL AMINES TO STIMULATE ANIMAL GROWTH, HETEROARYLETHYL AMINES AND PROCESS FOR THEIR PREPARATION | BAYER AG (DE) | 1992-11-11 | — | — | EP | disclosed |
| US-5149822-A | PREPARATION OF 2,3-DICHLORO-5-ACETYLPYRIDINE | BAYER AKTIENGESELLSCHAFT (DE) | 1992-09-22 | — | — | US | disclosed |
| US-4990620-A | Halogen substituted pyridylalkyl ketones | BAYER AKTIENGESELLSCHAFT (DE) | 1991-02-05 | — | — | US | disclosed |
| US-4927938-A | Halogen substituted pyridylalkyl ketones | BAYER AKTIENGESELLSCHAFT (DE) | 1990-05-22 | — | — | US | disclosed |
| US-4895950-A | 5-halogeno-6-amino-nicotinic acid halides | BAYER AKTIENGESELLSCHAFT (DE) | 1990-01-23 | — | — | US | disclosed |
| EP-0341478-A2 | Method for the preparation of 2,3-dichloro-5-acetyl pyridine | BAYER AG (DE) | 1989-11-15 | — | — | EP | disclosed |
| EP-0302227-A2 | 5-Halo-6-amino-nicotinic acid halides, their preparation and their use | BAYER AG (DE) | 1989-02-08 | — | — | EP | disclosed |
| EP-0299277-A2 | Process for the preparation of substituted pyridyl-alkyl ketones | BAYER AG (DE) | 1989-01-18 | — | — | EP | disclosed |
| EP-0244728-A2 | Use of heteroarylethyl amines to stimulate animal growth, heteroarylethyl amines and process for their preparation | BAYER AG (DE) | 1987-11-11 | — | — | EP | disclosed |