Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.55 |
| ▸ | CES2 | O00748 | 2/20 | 0.54 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.49 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.47 |
| ▸ | WNT3A | P56704 | 1/20 | 0.47 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL13222715 | 0.86 | NPSR1 (0.59) | NPSR1CES2SRD5A2KMT2ATAS1R3 | |
| SCHEMBL9585972 | 0.86 | NPSR1 (0.52) | NPSR1CES2SRD5A2KMT2ATAS1R3 | |
| SCHEMBL8179844 | 0.84 | NPSR1 (0.54) | NPSR1CES2SRD5A2KMT2ATAS1R3 | |
| SCHEMBL5122306 | 0.84 | CES2 (0.56) | NPSR1CES2SRD5A2KMT2ATAS1R3 | |
| SCHEMBL7797579 | 0.82 | KMO (0.57) | NPSR1CES2SRD5A2LMNACTNNB1 | |
| SCHEMBL7797588 | 0.82 | KMO (0.57) | NPSR1CES2SRD5A2LMNACTNNB1 | |
| SCHEMBL7797581 | 0.82 | KMO (0.57) | NPSR1CES2SRD5A2LMNACTNNB1 | |
| SCHEMBL11167372 | 0.81 | PDPK1 (0.60) | CES2SRD5A2ALDH1A1 | |
| SCHEMBL7400747 | 0.80 | CES2 (0.50) | NPSR1CES2KMT2AALDH1A1GPR139 | |
| SCHEMBL11628848 | 0.79 | CES2 (0.55) | NPSR1CES2SRD5A2KMT2ATAS1R3 |
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-0010347-B1 | NOVEL SUBSTITUTED OMEGA-AROYL(PROPIONYL OR BUTYRYL)-L-PROLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION | AMERICAN CYANAMID COMPANY (US) | 1983-11-09 | — | — | EP | disclosed |
| US-4374249-A | HYPOTENSIVE AGENTS | AMERICAN CYANAMID COMPANY (US) | 1983-02-15 | — | — | US | disclosed |
| US-4226775-A | HYPOTENSIVE AGENTS | AMERICAN CYANAMID COMPANY (US) | 1980-10-07 | — | — | US | disclosed |
| EP-0010347-A1 | Novel substituted omega-aroyl(propionyl or butyryl)-L-prolines, pharmaceutical compositions containing them and processes for their preparation | AMERICAN CYANAMID COMPANY (US) | 1980-04-30 | — | — | EP | disclosed |
| US-4112095-A | 6-Phenyl-1,2,4-triazolo[4,3-b]pyridazine hypotensive agents | AMERICAN CYANAMID COMPANY (US) | 1978-09-05 | — | — | US | disclosed |