Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 2/20 | 0.73 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3678814 | 1.00 | SRC (0.73) | SRCCYP2D6LMNAMAPK1HPGD | |
| SCHEMBL1312762 | 0.90 | SRC (0.64) | SRCCYP2D6LMNAMAPK1HPGD | |
| SCHEMBL15455826 | 0.88 | SRC (0.61) | SRCCYP2D6LMNAMAPK1HPGD | |
| SCHEMBL11012611 | 0.88 | SRC (0.61) | SRCCYP2D6LMNAMAPK1HPGD | |
| SCHEMBL6187748 | 0.87 | PTGS2 (0.60) | SRCPTGS2 | |
| SCHEMBL70165 | 0.85 | SRC (1.00) | SRCCYP2D6LMNAMAPK1KMT2A | |
| SCHEMBL148725 | 0.85 | SRC (1.00) | SRCCYP2D6LMNAMAPK1KMT2A | |
| SCHEMBL9374736 | 0.84 | SRC (0.56) | SRCCYP2D6LMNAMAPK1HPGD | |
| Chloromethane SCHEMBL11628108 | 0.83 | SRC (0.85) | SRCCYP2D6LMNAMAPK1HPGD | |
| Hydrochloric Acid SCHEMBL11211258 | 0.82 | SRC (0.94) | SRCCYP2D6LMNAMAPK1CES2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5801274-A | N- mercaptoacyl(amino acid or peptide)! compounds and S-lipophilic aliphatic carbonyl derivatives thereof as antihypertensives | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) | 1998-09-01 | — | — | US | disclosed |
| US-5591891-A | PEPTIDASE INHIBITORS | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 1997-01-07 | — | — | US | disclosed |
| WO-1994017036-A1 | S-LIPOPHILIC ALIPHATIC CARBONYL [N-MERCAPTOACYL-(AMINO ACID OR PEPTIDE)] COMPOUNDS AS ANTIHYPERTENSIVE AGENTS | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 1994-08-04 | — | — | WO | disclosed |
| EP-0595878-A1 | ACYLMERCAPTOALKANOYLDIPEPTIDES, METHODS OF PREPARATION AND THEIR THERAPEUTIC USE | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 1994-05-11 | — | — | EP | disclosed |
| WO-1993002099-A1 | ACYLMERCAPTOALKANOYLDIPEPTIDES, METHODS OF PREPARATION AND THEIR THERAPEUTIC USE | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 1993-02-04 | — | — | WO | disclosed |
| EP-0524553-A1 | Acylmercaptoalkanoyldipeptides, methods of preparation and their therapeutic use | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 1993-01-27 | — | — | EP | disclosed |