Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.43 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.43 |
| ▸ | NR1D1 | P20393 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.41 |
| ▸ | GPBAR1 | Q8TDU6 | 6/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | TACR1 | P25103 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28822559 | 0.81 | NR1H3 (0.47) | CHRNB2CHRNA4NR1H3NR1D1ALDH1A1 | |
| SCHEMBL7382021 | 0.73 | CACNA1H (0.45) | CACNA1HGPBAR1HIF1AKDM4EPOLB | |
| SCHEMBL1600409 | 0.72 | TACR1 (0.38) | ALDH1A1TACR1CYP3A4 | |
| SCHEMBL1601025 | 0.72 | SLC6A4 (0.40) | ALDH1A1TACR1 | |
| SCHEMBL25797239 | 0.70 | CYP3A4 (0.53) | CHRNB2CHRNA4NR1H3NR1D1GPBAR1 | |
| SCHEMBL7381239 | 0.70 | CACNA1H (0.45) | CACNA1HHIF1AKDM4EPOLBCYP3A4 | |
| SCHEMBL27602785 | 0.69 | HIF1A (0.65) | CHRNB2CHRNA4NR1H3ALDH1A1NR1H2 | |
| SCHEMBL30062626 | 0.69 | CACNA1H (0.53) | NR1H3NR1D1CACNA1HKDM4EPOLB | |
| SCHEMBL16606309 | 0.68 | CHRNB2 (0.58) | CHRNB2CHRNA4ALDH1A1KDM4E | |
| SCHEMBL19687731 | 0.68 | NR1H3 (0.41) | CHRNB2CHRNA4NR1H3NR1D1CACNA1H |
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 |
|---|---|---|---|---|---|---|---|
| CN-103102303-B | As the benzyl amine derivative of CETP inhibitor | DR. REDDY'S LABORATORIES LTD. (IN) | 2015-10-28 | — | — | CN | disclosed |