Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.44 |
| ▸ | HTR1A | P08908 | 2/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.44 |
| ▸ | DRD1 | P21728 | 2/20 | 0.44 |
| ▸ | DRD3 | P35462 | 2/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Cetiedil SCHEMBL458084 | 1.00 | CYP3A4 (0.44) | CYP3A4CYP1A2CYP2D6TSHRCHRM2 | |
| Cetiedil SCHEMBL5149883 | 0.90 | C3AR1 (0.42) | CYP3A4CYP1A2CYP2D6TSHRCHRM2 | |
| Cetiedil SCHEMBL121380 | 0.89 | CYP3A4 (0.40) | CYP3A4CYP1A2CYP2D6TSHRCHRM2 | |
| SCHEMBL11366829 | 0.81 | SLC6A3 (0.48) | CYP3A4CYP1A2CYP2D6TSHRCHRM2 | |
| SCHEMBL14862650 | 0.80 | SLC6A3 (0.46) | CYP3A4CYP1A2CYP2D6TSHRCHRM2 | |
| SCHEMBL17111285 | 0.79 | KMT2A (0.49) | CYP3A4CYP1A2CYP2D6TSHRCHRM2 | |
| SCHEMBL11368109 | 0.78 | SLC6A3 (0.58) | CYP3A4CYP1A2CYP2D6TSHRCHRM2 | |
| SCHEMBL8975472 | 0.78 | TP53 (0.72) | CYP3A4CYP1A2CYP2D6TSHRSLC6A3 | |
| Cinepazide SCHEMBL28086342 | 0.76 | KDM4E (0.47) | CYP3A4TP53TDP1KMT2ABCHE | |
| SCHEMBL6191571 | 0.76 | SLC6A3 (0.40) | CYP3A4CYP1A2CYP2D6TSHRCHRM2 |
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-7385064-B1 | Catalysts for use in enantioselective synthesis | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK | 2008-06-10 | — | — | US | disclosed |
| US-7385064-B1 | Catalysts for use in enantioselective synthesis | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK | 2008-06-10 | — | — | US | disclosed |