Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7159141 | 0.95 | ALDH1A1 (0.43) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL29475832 | 0.91 | ALDH1A1 (0.48) | ALDH1A1TP53CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL31122823 | 0.91 | ALDH1A1 (0.48) | ALDH1A1TP53CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL1697578 | 0.91 | ALDH1A1 (0.48) | ALDH1A1TP53CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL29942408 | 0.77 | ALDH1A1 (0.53) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL27877854 | 0.77 | ALDH1A1 (0.41) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL1525801 | 0.77 | ALDH1A1 (0.53) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL7512041 | 0.77 | ALDH1A1 (0.53) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL1805993 | 0.77 | MAOA (0.56) | MAPK1SRD5A1MEN1KMT2A | |
| SCHEMBL12002390 | 0.77 | ALDH1A1 (0.34) | ALDH1A1SRD5A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE47334-E1 | Macrocyclic inhibitors of flaviviridae viruses | GILEAD SCIENCES, INC. (US) | 2019-04-02 | — | — | US | disclosed |
| EP-2934135-A1 | PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO | Dow AgroSciences LLC (US) | 2015-10-28 | — | — | EP | disclosed |
| WO-2014100166-A1 | PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO | DOW AGROSCIENCES LLC (US) | 2014-06-26 | — | — | WO | disclosed |
| WO-2014100163-A1 | PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO | DOW AGROSCIENCES LLC (US) | 2014-06-26 | — | — | WO | disclosed |
| WO-2014100206-A1 | PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO | DOW AGROSCIENCES LLC (US) | 2014-06-26 | — | — | WO | disclosed |
| WO-2012026403-A1 | CONDENSED RING COMPOUND | 日本曹達株式会社 (JP) | 2012-03-01 | — | — | WO | disclosed |