Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 7/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.50 |
| ▸ | HTR2C | P28335 | 7/20 | 0.41 |
| ▸ | HTR2B | P41595 | 6/20 | 0.41 |
| ▸ | HTR2A | P28223 | 5/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL8780409 | 0.89 | SLC6A2 (0.46) | SLC6A2SLC6A4SLC6A3HTR2CHTR2B | |
| SCHEMBL2721007 | 0.88 | SLC6A2 (0.52) | SLC6A2SLC6A4SLC6A3HTR2CHTR2B | |
| SCHEMBL644545 | 0.82 | SLC6A2 (0.54) | SLC6A2SLC6A4SLC6A3HTR2CHTR2B | |
| Hydrochloric Acid SCHEMBL5793498 | 0.80 | SLC6A2 (0.53) | SLC6A2SLC6A4SLC6A3HTR2CHTR2B | |
| Bromide SCHEMBL27797303 | 0.80 | SLC6A2 (0.53) | SLC6A2SLC6A4SLC6A3HTR2CHTR2B | |
| SCHEMBL5037533 | 0.80 | SLC6A2 (0.50) | SLC6A2SLC6A4SLC6A3HTR2CHTR2B | |
| SCHEMBL5506036 | 0.77 | SLC6A2 (0.49) | SLC6A2SLC6A4SLC6A3HTR2CHTR2B | |
| Bicarbonate SCHEMBL11620060 | 0.77 | SLC6A2 (0.49) | SLC6A2SLC6A4SLC6A3HTR2CHTR2B | |
| SCHEMBL15974677 | 0.76 | SLC6A2 (0.51) | SLC6A2SLC6A4SLC6A3HTR2CHTR2B | |
| SCHEMBL11267479 | 0.75 | SLC6A2 (0.66) | SLC6A2SLC6A4SLC6A3ADRB1HTR3E |
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-0836599-A1 | 1,6-DISUBSTITUTED ISOCHROMANS FOR TREATMENT OF MIGRAINE HEADACHES | PHARMACIA & UPJOHN COMPANY (US) | 1998-04-22 | — | — | EP | disclosed |
| US-5322846-A | Useful in treatment of cardiovascular diseases associated with hyperactivity of the sympathetic nervous system | INSTITUT DE RECHERCHES CHIMIQUES ET BIOLOGIQUES APPLIQUEES (I.R.C.E.B.A.) (FR) | 1994-06-21 | — | — | US | disclosed |