Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 7/20 | 0.51 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.45 |
| ▸ | HTR1A | P08908 | 2/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 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 | |
|---|---|---|---|---|
| SCHEMBL233169 | 0.75 | ADRB1 (0.58) | HTR6SLC6A2SLC6A4HTR1ASLC6A3 | |
| Hydrochloric Acid SCHEMBL20139829 | 0.74 | ADRB1 (0.56) | HTR6HTR1AALDH1A1DRD2DRD3 | |
| Hydrochloric Acid SCHEMBL29882725 | 0.74 | ADRB1 (0.56) | HTR6HTR1AALDH1A1DRD2DRD3 | |
| SCHEMBL6560078 | 0.74 | SIGMAR1 (0.68) | HTR6TAAR1SLC6A2SLC6A4HTR1A | |
| SCHEMBL654285 | 0.73 | ALDH1A1 (0.57) | HTR6SLC6A4HTR1AALDH1A1DRD2 | |
| SCHEMBL2997329 | 0.73 | ALDH1A1 (0.57) | HTR6SLC6A2SLC6A4HTR1ASLC6A3 | |
| SCHEMBL3636287 | 0.73 | GAA (0.56) | HTR6HTR1AALDH1A1KMT2ADRD2 | |
| SCHEMBL20883839 | 0.73 | HTR3A (0.52) | HTR6TAAR1SLC6A4HTR1AALDH1A1 | |
| SCHEMBL7562266 | 0.73 | HTR1A (0.47) | SLC6A4HTR1ADRD2DRD3HTR2A | |
| Hydrochloric Acid SCHEMBL2881381 | 0.72 | SIGMAR1 (0.66) | HTR6TAAR1SLC6A2SLC6A4HTR1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0865280-A1 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 1998-09-23 | — | — | EP | disclosed |
| WO-1997017967-A1 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1997-05-22 | — | — | WO | disclosed |