Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 13/20 | 0.42 |
| ▸ | HTR2B | P41595 | 13/20 | 0.42 |
| ▸ | ADCY6 | O43306 | 1/20 | 0.41 |
| ▸ | ADCY3 | O60266 | 1/20 | 0.41 |
| ▸ | ADCY9 | O60503 | 1/20 | 0.41 |
| ▸ | ADCY5 | O95622 | 1/20 | 0.41 |
| ▸ | ADCY8 | P40145 | 1/20 | 0.41 |
| ▸ | ADCY7 | P51828 | 1/20 | 0.41 |
| ▸ | ADCY2 | Q08462 | 1/20 | 0.41 |
| ▸ | ADCY1 | Q08828 | 1/20 | 0.41 |
| ▸ | ADCY4 | Q8NFM4 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MLNR | O43193 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10351351 | 0.98 | PNMT (0.42) | PNMTHTR2CHTR2BADCY6ADCY3 | |
| SCHEMBL9537807 | 0.80 | ADCY6 (0.59) | PNMTHTR2CHTR2BADCY6ADCY3 | |
| SCHEMBL10564998 | 0.80 | HTR2C (0.43) | PNMTHTR2CHTR2BADCY6ADCY3 | |
| Hydrochloric Acid SCHEMBL10566744 | 0.79 | HTR2C (0.42) | PNMTHTR2CHTR2BADCY6ADCY3 | |
| Bromide SCHEMBL10350481 | 0.79 | ADCY6 (0.57) | PNMTHTR2CHTR2BADCY6ADCY3 | |
| SCHEMBL10567699 | 0.77 | ADCY6 (0.55) | PNMTHTR2CHTR2BADCY6ADCY3 | |
| SCHEMBL10568117 | 0.77 | HTR2C (0.56) | PNMTHTR2CHTR2BHTR2A | |
| SCHEMBL11742860 | 0.77 | ADCY6 (0.56) | PNMTHTR2CHTR2BADCY6ADCY3 | |
| Hydrochloric Acid SCHEMBL10350486 | 0.76 | HTR2C (0.54) | PNMTHTR2CHTR2BHTR2A | |
| SCHEMBL10567704 | 0.76 | HTR2C (0.42) | PNMTHTR2CHTR2BADCY6ADCY3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4824839-A | Sulfinyl and sulfonyl substituted 2,3,4,5 tetrahydro-1H-3-benzazepines and their use in treating gastrointestinal motility disorders | SMITHKLINE BECKMAN CORPORATION (US) | 1989-04-25 | — | — | US | disclosed |