Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL11434557 | 0.91 | ALDH1A1 (0.48) | ALDH1A1HPGDNPC1RAB9ATP53 | |
| SCHEMBL2027600 | 0.82 | LMNA (0.59) | ALDH1A1HPGDNPC1RAB9AFFAR1 | |
| SCHEMBL1326178 | 0.82 | LMNA (0.44) | ALDH1A1NPC1MEN1KMT2ATDP1 | |
| SCHEMBL20022958 | 0.81 | FFAR1 (0.52) | ALDH1A1FFAR1L3MBTL1MAPK1MEN1 | |
| SCHEMBL1324549 | 0.81 | MTNR1B (0.51) | ALDH1A1L3MBTL1MAPK1TSHRTDP1 | |
| SCHEMBL6785504 | 0.80 | DNTT (0.43) | ALDH1A1HPGDNPC1RAB9AL3MBTL1 | |
| SCHEMBL8635941 | 0.78 | FFAR1 (0.61) | ALDH1A1HPGDNPC1RAB9ATP53 | |
| SCHEMBL7513150 | 0.77 | ALDH1A1 (0.54) | ALDH1A1HPGDNPC1RAB9ATP53 | |
| SCHEMBL6421307 | 0.77 | ALDH1A1 (0.54) | ALDH1A1HPGDNPC1RAB9AFFAR1 | |
| SCHEMBL1326176 | 0.76 | GLA (0.44) | ALDH1A1HPGDNPC1RAB9ATP53 |
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 |