Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | ITGAV | P06756 | 3/20 | 0.50 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.46 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.46 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.46 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.44 |
| ▸ | CTSL | P07711 | 2/20 | 0.43 |
| ▸ | CTSS | P25774 | 2/20 | 0.43 |
| ▸ | CTSK | P43235 | 2/20 | 0.43 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | ANPEP | P15144 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7434675 | 0.84 | ALDH1A1 (0.56) | ALDH1A1CYP2C19ITGAVSLC1A3SLC1A2 | |
| SCHEMBL3969631 | 0.84 | ALDH1A1 (0.71) | ALDH1A1CYP2C19ITGAVSLC1A3SLC1A2 | |
| SCHEMBL3969622 | 0.84 | ALDH1A1 (0.71) | ALDH1A1CYP2C19ITGAVSLC1A3SLC1A2 | |
| SCHEMBL7264763 | 0.79 | AIMP2 (0.56) | ALDH1A1CYP2C19MEN1KMT2AMMP1 | |
| SCHEMBL7264766 | 0.75 | ALDH1A1 (0.56) | ALDH1A1SLC1A3SLC1A2SLC1A1CTSL | |
| SCHEMBL1509340 | 0.75 | ITGAV (0.63) | ALDH1A1CYP2C19ITGAVSLC1A3SLC1A2 | |
| SCHEMBL1509337 | 0.75 | ITGAV (0.63) | ALDH1A1CYP2C19ITGAVSLC1A3SLC1A2 | |
| SCHEMBL10723125 | 0.74 | SLC1A3 (0.43) | ALDH1A1CYP2C19ITGAVSLC1A3SLC1A2 | |
| SCHEMBL7378486 | 0.74 | ALDH1A1 (0.44) | ALDH1A1CYP2C19ITGAVSLC1A3SLC1A2 | |
| SCHEMBL7381176 | 0.73 | CTSK (0.47) | ALDH1A1CYP2C19ITGAVCTSLCTSS |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0229667-B1 | Peptidylaminodiols | ABBOTT LAB (US) | 1994-07-13 | — | — | EP | disclosed |
| US-5214129-A | Amidation of a protected amino acid by an di-O-protected dihydroxy-containing amine and coupling with a carboxylic acid; deprotecting; renin inhibitors; hypotensive agents | ABBOTT LABORATORIES (US) | 1993-05-25 | — | — | US | disclosed |
| US-5091575-A | Renin inhibitor | ABBOTT LABORATORIES (US) | 1992-02-25 | — | — | US | disclosed |
| US-5032577-A | Hypotensive | ABBOTT LABORATORIES (US) | 1991-07-16 | — | — | US | disclosed |
| US-4977277-A | INTERMEDIATES FOR RENIN INHIBITORS | ABBOTT LABORATORIES (US) | 1990-12-11 | — | — | US | disclosed |
| US-4845079-A | HYPOTENSIVE, RENIN INHIBITION | ABBOTT LABORATORIES | 1989-07-04 | — | — | US | disclosed |
| US-4837204-A | RENIN INHIBITORS; HYPOTENSIVE AGENTS | ABBOTT LABORATORIES (US) | 1989-06-06 | — | — | US | disclosed |
| US-4725583-A | ANTIHYPERTENSIVE | ABBOTT LABORATORIES (US) | 1988-02-16 | — | — | US | disclosed |
| EP-0230266-A2 | Functionalized peptidyl aminodiols and -triols | ABBOTT LABORATORIES (US) | 1987-07-29 | — | — | EP | disclosed |
| EP-0229667-A2 | Peptidylaminodiols | ABBOTT LABORATORIES (US) | 1987-07-22 | — | — | EP | disclosed |
| EP-0189203-A2 | Peptidylaminodiols | ABBOTT LABORATORIES (US) | 1986-07-30 | — | — | EP | disclosed |