Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 3/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 3/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL4322455 | 0.84 | TAAR1 (0.42) | ADRA2AADRA2BADRA2CPOLBTAAR1 | |
| SCHEMBL28440169 | 0.77 | CYP2C19 (0.47) | POLBCYP2C19RAB9AL3MBTL1NPC1 | |
| SCHEMBL5715779 | 0.76 | TAAR1 (0.42) | ADRA2AADRA2BADRA2CPOLBTAAR1 | |
| SCHEMBL11420392 | 0.76 | TAAR1 (0.42) | ADRA2AADRA2BADRA2CPOLBTAAR1 | |
| SCHEMBL28956569 | 0.75 | POLB (0.47) | ADRA2AADRA2BADRA2CPOLBCYP2C19 | |
| SCHEMBL4656216 | 0.74 | — | — | |
| SCHEMBL13969501 | 0.74 | — | — | |
| SCHEMBL9177064 | 0.74 | — | — | |
| SCHEMBL9049320 | 0.74 | — | — | |
| SCHEMBL5038460 | 0.73 | POLB (0.53) | ADRA2AADRA2BADRA2CPOLBTAAR1 |
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-1996588-A1 | NOVEL DUAL ACTION RECEPTORS ANTAGONISTS (DARA) AT THE ATI AND ETA RECEPTORS | Torrent Pharmaceuticals Ltd (IN) | 2008-12-03 | — | — | EP | disclosed |
| WO-2007100295-A1 | NOVEL DUAL ACTION RECEPTORS ANTAGONISTS (DARA) AT THE ATI AND ETA RECEPTORS | TORRENT PHARMACEUTICALS LTD (IN) | 2007-09-07 | — | — | WO | disclosed |