Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
| ▸ | TACR3 | P29371 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11497550 | 0.86 | SLC6A2 (0.48) | SLC6A2SLC6A4SLC6A3HRH3PARP1 | |
| SCHEMBL11289605 | 0.85 | SLC6A2 (0.46) | SLC6A2SLC6A4SLC6A3HRH3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL2084335 | 0.84 | SLC6A2 (0.51) | SLC6A2SLC6A4SLC6A3HRH3ALDH1A1 | |
| SCHEMBL14828670 | 0.82 | SLC6A2 (0.54) | SLC6A2SLC6A4SLC6A3HRH3PARP1 | |
| SCHEMBL10898677 | 0.82 | SLC6A2 (0.47) | SLC6A2SLC6A4SLC6A3HRH3PARP1 | |
| SCHEMBL28446471 | 0.82 | HRH3 (0.50) | SLC6A2SLC6A4SLC6A3HRH3ALDH1A1 | |
| SCHEMBL7379886 | 0.81 | HRH3 (0.46) | SLC6A2SLC6A4SLC6A3HRH3PARP1 | |
| SCHEMBL14665138 | 0.81 | SLC6A2 (0.53) | SLC6A2SLC6A4SLC6A3HRH3PARP1 | |
| SCHEMBL11954278 | 0.79 | TACR1 (0.46) | SLC6A2SLC6A4SLC6A3HRH3ALDH1A1 | |
| SCHEMBL10956783 | 0.79 | SLC6A2 (0.56) | SLC6A2SLC6A4SLC6A3HRH3ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4462943-A | HYPOTENSIVE AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1984-07-31 | — | — | US | disclosed |
| EP-0052991-A1 | Carboxyalkyl amino acid derivatives of various substituted prolines | E.R. Squibb & Sons, Inc. (US) | 1982-06-02 | — | — | EP | disclosed |