Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.45 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.44 |
| ▸ | PAM | P19021 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1119176 | 0.81 | CES2 (0.59) | ALDH1A1MAPTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL8616006 | 0.81 | CES2 (0.48) | ALDH1A1MAPTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL23052609 | 0.79 | MEN1 (0.50) | ALDH1A1MAPTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL394740 | 0.79 | ALDH1A1 (0.56) | ALDH1A1MAPTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL7329984 | 0.79 | CES2 (0.55) | ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1 | |
| SCHEMBL4755209 | 0.79 | CES2 (0.55) | ALDH1A1MAPTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL15170431 | 0.77 | MEN1 (0.49) | ALDH1A1MAPTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL265270 | 0.77 | MEN1 (0.53) | ALDH1A1MAPTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL28547028 | 0.77 | MEN1 (0.49) | ALDH1A1MAPTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL15101103 | 0.77 | MEN1 (0.49) | ALDH1A1MAPTMEN1KMT2ASMN1; SMN2 |
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-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 |