Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.42 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | ACACB | O00763 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3997626 | 0.96 | KIF11 (0.46) | ALDH1A1POLBMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL12900637 | 0.84 | ALDH1A1 (0.47) | ALDH1A1POLBMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL24037024 | 0.83 | KMT2A (0.45) | KMT2ASMN1; SMN2L3MBTL1EPHX1MRGPRX4 | |
| SCHEMBL5371011 | 0.83 | EPHX1 (0.46) | ALDH1A1KMT2ASMN1; SMN2EPHX2EPHX1 | |
| SCHEMBL28114756 | 0.83 | EPHX1 (0.46) | ALDH1A1EPHX2EPHX1HRH3 | |
| SCHEMBL7235148 | 0.83 | EPHX1 (0.46) | ALDH1A1KMT2ASMN1; SMN2EPHX2EPHX1 | |
| SCHEMBL2294181 | 0.83 | CYP1A2 (0.54) | ALDH1A1MEN1KMT2AL3MBTL1 | |
| SCHEMBL5692076 | 0.82 | LDHA (0.42) | ALDH1A1 | |
| SCHEMBL25624108 | 0.82 | LDHA (0.42) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL16563786 | 0.82 | EPHX1 (0.45) | ALDH1A1EPHX2EPHX1HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| US-6576637-B1 | Such as 3-(4-methyl-3-nitrophenyl)-3-(2-(4-(pyridin-2-yl-amino)butyryl amino)acetylamino)propionic acid; thrombosis, heart infarct, coronary heart diseases, arteriosclerosis, inflammations, | MERCK PATENT GMBH (DE) | 2003-06-10 | — | — | US | disclosed |
| EP-1153014-A2 | BETA-ALANINE DERIVATIVES | MERCK PATENT GmbH (DE) | 2001-11-14 | — | — | EP | disclosed |
| WO-2000048996-A2 | β-ALANINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2000-08-24 | — | — | WO | disclosed |