Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | ITGAV | P06756 | 3/20 | 0.54 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.50 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.50 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.50 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.47 |
| ▸ | CTSL | P07711 | 2/20 | 0.46 |
| ▸ | CTSS | P25774 | 2/20 | 0.46 |
| ▸ | CTSK | P43235 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ANPEP | P15144 | 2/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.42 |
| ▸ | FEN1 | P39748 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP3 | P08254 | 1/20 | 0.41 |
| ▸ | MMP7 | P09237 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 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 | |
|---|---|---|---|---|
| SCHEMBL3969631 | 0.89 | ALDH1A1 (0.71) | ALDH1A1CYP2C19ITGAVSLC1A3SLC1A2 | |
| SCHEMBL3969622 | 0.89 | ALDH1A1 (0.71) | ALDH1A1CYP2C19ITGAVSLC1A3SLC1A2 | |
| SCHEMBL7264756 | 0.84 | ALDH1A1 (0.52) | ALDH1A1CYP2C19ITGAVSLC1A3SLC1A2 | |
| SCHEMBL16388801 | 0.81 | CTSL (0.57) | CTSLCTSSCTSKKDM4EMMP1 | |
| SCHEMBL29473656 | 0.78 | ITGAV (0.55) | ALDH1A1CYP2C19ITGAVSLC1A3SLC1A2 | |
| SCHEMBL3898279 | 0.77 | ITGAV (0.67) | ALDH1A1CYP2C19ITGAVSLC1A3SLC1A2 | |
| SCHEMBL27692486 | 0.77 | ITGAV (0.67) | ALDH1A1CYP2C19ITGAVSLC1A3SLC1A2 | |
| SCHEMBL7434664 | 0.77 | AIMP2 (0.60) | ALDH1A1CYP2C19MMP1MMP2MMP3 | |
| Phenanthroline SCHEMBL27798788 | 0.76 | CYP2C19 (0.56) | ALDH1A1CYP2C19ITGAVSLC1A3SLC1A2 | |
| SCHEMBL6265323 | 0.76 | ALDH1A1 (0.45) | ALDH1A1CYP2C19ITGAVSLC1A3SLC1A2 |
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-4826815-A | HYPOTENSIVE | ABBOTT LABORATORIES (US) | 1989-05-02 | — | — | US | disclosed |
| US-4645759-A | HYPOTENSIVE AGENTS | ABBOTT LABORATORIES (US) | 1987-02-24 | — | — | US | disclosed |
| EP-0172347-A2 | Renin inhibiting compounds | ABBOTT LABORATORIES (US) | 1986-02-26 | — | — | EP | disclosed |