Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM1A | O60341 | 3/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.33 |
| ▸ | NAT1 | P18440 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7999615 | 1.00 | TAAR1 (0.38) | TAAR1CYP3A4HSD17B10TDP1ALDH1A1 | |
| SCHEMBL1120013 | 0.98 | TAAR1 (0.34) | TAAR1CYP3A4HSD17B10TDP1ALDH1A1 | |
| Benzene SCHEMBL28178850 | 0.98 | TAAR1 (0.34) | TAAR1CYP3A4HSD17B10TDP1ALDH1A1 | |
| Methane SCHEMBL20572263 | 0.96 | TAAR1 (0.33) | TAAR1CYP3A4HSD17B10TDP1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL26932148 | 0.96 | KDM1A (0.33) | TAAR1CYP3A4HSD17B10TDP1ALDH1A1 | |
| Propane SCHEMBL23045274 | 0.91 | MMP2 (0.33) | TAAR1CYP3A4HSD17B10TDP1KDM1A | |
| Methoxymethane SCHEMBL28729732 | 0.91 | PDE4B (0.32) | TAAR1CYP3A4HSD17B10TDP1NPC1 | |
| Formamide SCHEMBL29214454 | 0.89 | NAT1 (0.33) | ALDH1A1FAAHMGLLHSD17B3NAT1 | |
| Urea SCHEMBL28213343 | 0.89 | LMNA (0.35) | CYP3A4HSD17B10TDP1WDR5SRR | |
| Dimethyl Sulfone SCHEMBL29171468 | 0.88 | PTGS2 (0.38) | HSD17B10ALDH1A1CA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105555913-B | Organic electroluminescent compounds and organic electroluminescent device comprising the same | 罗门哈斯电子材料韩国有限公司 | 2019-05-10 | — | — | CN | disclosed |
| CN-105358654-B | Organic electroluminescent compounds and Organnic electroluminescent device comprising the compound | 罗门哈斯电子材料韩国有限公司 | 2019-05-07 | — | — | CN | disclosed |