Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | LAP3 | P28838 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP12 | P39900 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7013304 | 0.84 | ALDH1A1 (0.43) | IDO1ALDH1A1CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL24569694 | 0.74 | CTSD (0.40) | ALDH1A1CYP2C9CYP2C19CYP3A4KMT2A | |
| SCHEMBL24569731 | 0.74 | CTSD (0.40) | ALDH1A1CYP2C9CYP2C19CYP3A4KMT2A | |
| SCHEMBL9917628 | 0.73 | GLA (0.55) | ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2 | |
| SCHEMBL9886347 | 0.73 | GLA (0.55) | ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2 | |
| SCHEMBL4413019 | 0.73 | GLA (0.55) | ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2 | |
| SCHEMBL21522839 | 0.72 | CYP1A2 (0.42) | ALDH1A1SLC1A3SLC1A2SLC1A1CYP1A2 | |
| SCHEMBL24569730 | 0.71 | ALDH1A1 (0.39) | IDO1ALDH1A1KMT2AMAPK1L3MBTL1 | |
| SCHEMBL21274787 | 0.71 | DPP4 (0.55) | ALDH1A1CYP2C9CYP2C19CYP3A4LTA4H | |
| SCHEMBL21274786 | 0.71 | DPP4 (0.55) | ALDH1A1CYP2C9CYP2C19CYP3A4LTA4H |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0687254-A1 | 4-AMINOPYRIDINES, THEIR PREPARATION AND THEIR USE AS ANTITHROMBOTIC AGENT | Roche Diagnostics GmbH (DE) | 1995-12-20 | — | — | EP | disclosed |
| WO-1994020468-A1 | 4-AMINOPYRIDINES, THEIR PRODUCTION AND USE AS AN ANTITHROMBOSIS AGENT | BOEHRINGER MANNHEIM GMBH (DE) | 1994-09-15 | — | — | WO | disclosed |
| US-4472380-A | CARBOXYALKYL DIPEPTIDE DERIVATIVES | MERCK & CO., INC. (US) | 1984-09-18 | — | — | US | disclosed |
| US-4374829-A | Aminoacid derivatives as antihypertensives | MERCK & CO., INC. (US) | 1983-02-22 | — | — | US | disclosed |
| EP-0012401-A1 | Carboxyalkyl dipeptide derivatives, process for preparing them and pharmaceutical composition containing them | MERCK & CO. INC. (US) | 1980-06-25 | — | — | EP | disclosed |