Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 2/20 | 0.58 |
| ▸ | HTR2A | P28223 | 3/20 | 0.51 |
| ▸ | HTR2C | P28335 | 2/20 | 0.51 |
| ▸ | HTR2B | P41595 | 2/20 | 0.51 |
| ▸ | KDM1A | O60341 | 11/20 | 0.47 |
| ▸ | MAOA | P21397 | 2/20 | 0.47 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL31113521 | 0.79 | KDM1A (0.62) | ADRA1AHTR2AHTR2CHTR2BKDM1A | |
| SCHEMBL7864304 | 0.79 | KDM1A (0.62) | ADRA1AHTR2AHTR2CHTR2BKDM1A | |
| SCHEMBL7092173 | 0.79 | KDM1A (0.62) | ADRA1AHTR2AHTR2CHTR2BKDM1A | |
| SCHEMBL7092178 | 0.79 | KDM1A (0.62) | ADRA1AHTR2AHTR2CHTR2BKDM1A | |
| Hydrochloric Acid SCHEMBL34462839 | 0.78 | HTR2C (0.65) | HTR2AHTR2CHTR2BKDM1AMAOA | |
| Hydrochloric Acid SCHEMBL16987811 | 0.78 | HTR2C (0.65) | HTR2AHTR2CHTR2BKDM1AMAOA | |
| SCHEMBL3296247 | 0.73 | ADRA1A (0.53) | ADRA1AHTR2AHTR2CHTR2BKDM1A | |
| SCHEMBL5340985 | 0.73 | ADRA1A (0.47) | ADRA1AHTR2AHTR2CHTR2BKDM1A | |
| SCHEMBL15586457 | 0.73 | ABCB1 (0.50) | ADRA1AHTR2AHTR2CHTR2B | |
| SCHEMBL16577518 | 0.72 | ABCB1 (0.57) | ADRA1AHTR2AHTR2C |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0778836-B1 | SUBSTITUTED 9-ALKYLADENINES | ADERIS PHARMACEUTICALS INC (US) | 2005-12-28 | — | — | EP | disclosed |
| US-5981524-A | AS DIURETICS, RENAL PROTECTIVES AGAINST ACUTE OR CHRONIC RENAL FAILURE, AS WELL AS AGENTS TO FACILITATE RECOVERY FROM COMA, TO TREAT OR PREVENT INTERMITTENT CALLUDICATION AND TO RESTORE CARDIAC FUNCTION FOLLOWING A CARDIOPLEGIC PROCEDURE | DISCOVERY THERAPEUTICS, INC. (US) | 1999-11-09 | — | — | US | disclosed |
| US-5670501-A | USEFUL AS DIURETICS, TREATING RENAL DISORDERS, RESTORING CARDIAC FUNCTIONS | DISCOVERY THERAPEUTICS, INC. (US) | 1997-09-23 | — | — | US | disclosed |
| WO-1996006845-A1 | SUBSTITUTED 9-ALKYLADENINES | DISCOVERY THERAPEUTICS, INC. (US) | 1996-03-07 | — | — | WO | disclosed |