Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10986150 | 0.79 | S1PR1 (0.49) | CYP3A4CHRNB2CHRNA4TDP1L3MBTL1 | |
| SCHEMBL10558562 | 0.78 | GRM2 (0.48) | CYP3A4TSHRGRM2 | |
| SCHEMBL9287384 | 0.78 | CHRNB2 (0.50) | CYP3A4CHRNB2CHRNA4TDP1L3MBTL1 | |
| SCHEMBL10995093 | 0.77 | S1PR1 (0.47) | CYP3A4CHRNB2CHRNA4TDP1L3MBTL1 | |
| SCHEMBL10980311 | 0.75 | S1PR1 (0.45) | CYP3A4CHRNB2CHRNA4TDP1L3MBTL1 | |
| SCHEMBL10986588 | 0.75 | S1PR1 (0.45) | CYP3A4CHRNB2CHRNA4TDP1L3MBTL1 | |
| SCHEMBL10555995 | 0.73 | CYP3A4 (0.60) | CYP3A4CHRNB2CHRNA4KDM4ETSHR | |
| SCHEMBL10980178 | 0.73 | S1PR1 (0.56) | CYP3A4CHRNB2CHRNA4TDP1L3MBTL1 | |
| SCHEMBL11922687 | 0.72 | CHRNB2 (0.72) | CHRNB2CHRNA4TDP1L3MBTL1KDM4E | |
| Hydrochloric Acid SCHEMBL10986448 | 0.72 | S1PR1 (0.55) | CYP3A4CHRNB2CHRNA4TDP1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4552960-A | N,N-DISUBSTITUTED HETEROCYCLIC AMINES | ELI LILLY AND COMPANY (US) | 1985-11-12 | — | — | US | disclosed |
| EP-0129433-A2 | Amines as fungicidal agents | ELI LILLY AND COMPANY (US) | 1984-12-27 | — | — | EP | disclosed |