Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 2/20 | 0.56 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 4/20 | 0.47 |
| ▸ | HTR2C | P28335 | 3/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL258418 | 0.86 | CA12 (0.65) | ADRA1ATAAR1CA12CA1CA2 | |
| SCHEMBL29634588 | 0.86 | CA12 (0.65) | ADRA1ATAAR1CA12CA1CA2 | |
| SCHEMBL5634995 | 0.84 | CA12 (0.62) | ADRA1ATAAR1CA12CA1CA2 | |
| Isopropylamine SCHEMBL28069314 | 0.81 | HTR2A (0.56) | ADRA1ATAAR1CA12CA1CA2 | |
| Propylamine SCHEMBL27795182 | 0.80 | ADRA1A (0.54) | ADRA1ATAAR1CA12CA1CA2 | |
| SCHEMBL9383598 | 0.79 | CA12 (0.61) | CA12CA1CA2CA7CA9 | |
| SCHEMBL31456048 | 0.78 | MTNR1A (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2497117 | 0.78 | L3MBTL1 (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL17260308 | 0.77 | MAPT (0.50) | ADRA1ACA12CA1CA2CA7 | |
| SCHEMBL38657587 | 0.76 | ALDH1A1 (0.56) | ADRA1ATAAR1CA12CA1CA2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101099734-A | Agonism of the 5ht2a receptor for treatment of thermoregulatory dysfunction | WYETH CORP (US) | 2008-01-09 | — | — | CN | claimed |
| CN-1674880-A | 5HT for the treatment of thermoregulatory dysfunction2aAgonism of receptors | WYETH CORP (US) | 2005-09-28 | — | — | CN | claimed |
| CN-106102836-A | Halogen treatment of heart attack and ischemic injury | 弗雷德哈钦森癌症研究中心 | 2016-11-09 | — | — | CN | disclosed |
| CN-101099734-A | Agonism of the 5ht2a receptor for treatment of thermoregulatory dysfunction | WYETH CORP (US) | 2008-01-09 | — | — | CN | disclosed |
| CN-1674880-A | 5HT for the treatment of thermoregulatory dysfunction2aAgonism of receptors | WYETH CORP (US) | 2005-09-28 | — | — | CN | disclosed |