Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 3/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | FASN | P49327 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 2/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17621736 | 0.90 | CHRNB2 (0.35) | CHRNB2CHRNA4KDM4EHRH2HRH1 | |
| SCHEMBL17356907 | 0.71 | HDAC6 (0.35) | ALDH1A1MEN1KMT2AADORA1 | |
| SCHEMBL9568920 | 0.66 | CHRNB2 (0.40) | CHRNB2CHRNA4TSHRHSD17B3 | |
| SCHEMBL9569029 | 0.66 | CHRNB2 (0.75) | CHRNB2CHRNA4 | |
| SCHEMBL10841771 | 0.64 | ALDH1A1 (0.40) | ALDH1A1KDM4EMAPTHPGDMEN1 | |
| Hydrochloric Acid SCHEMBL9569057 | 0.64 | CHRNB2 (0.73) | CHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL10842813 | 0.64 | KDM4E (0.45) | TSHRALDH1A1KDM4EPOLBALOX15 | |
| SCHEMBL9568946 | 0.64 | CHRNB2 (0.35) | CHRNB2CHRNA4ALDH1A1KDM4EMAPT | |
| SCHEMBL12616854 | 0.64 | ADORA1 (0.37) | CHRNB2CHRNA4ALDH1A1KDM4EMAPT | |
| SCHEMBL14419210 | 0.63 | MEN1 (0.36) | ALDH1A1MEN1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0537993-A1 | Nicotinic activity of a series of arecolones and isoarecolones | ELI LILLY AND COMPANY (US) | 1993-04-21 | — | — | EP | disclosed |