Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TLR2 | O60603 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2368921 | 0.98 | EPHX2 (0.50) | ALDH1A1HPGDEPHX2CNR1CNR2 | |
| SCHEMBL18022724 | 0.87 | KDM4E (0.51) | ALDH1A1HPGDKDM4ELMNAMAOA | |
| SCHEMBL21657637 | 0.83 | KDM4E (0.59) | ALDH1A1HPGDCNR1CNR2SIGMAR1 | |
| Benzene SCHEMBL27952372 | 0.80 | MAOA (0.65) | ALDH1A1HPGDCNR1CNR2SIGMAR1 | |
| SCHEMBL18966695 | 0.80 | TDP1 (0.52) | SIGMAR1KDM4EMAOAMEN1KMT2A | |
| SCHEMBL10952730 | 0.79 | KDM4E (0.62) | ALDH1A1HPGDSIGMAR1KDM4ELMNA | |
| Dodecane SCHEMBL27793162 | 0.79 | MAOA (0.61) | EPHX2SIGMAR1LMNAMAOAMEN1 | |
| SCHEMBL9320936 | 0.79 | MAOA (0.62) | ALDH1A1HPGDCNR1CNR2SIGMAR1 | |
| Hydrochloric Acid SCHEMBL7758891 | 0.78 | MEN1 (0.50) | SIGMAR1KDM4EMAOAMEN1KMT2A | |
| SCHEMBL17467935 | 0.77 | MEN1 (0.48) | KDM4EMAOAMEN1KMT2ATDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8022062-B2 | 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists | ELI LILLY AND COMPANY (US) | 2011-09-20 | — | — | US | disclosed |