Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CDK4 | P11802 | 6/20 | 0.43 |
| ▸ | CCND1 | P24385 | 5/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | MC4R | P32245 | 2/20 | 0.40 |
| ▸ | MC5R | P33032 | 2/20 | 0.40 |
| ▸ | MC3R | P41968 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | TACR1 | P25103 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL9519964 | 0.80 | TACR1 (0.48) | TACR1 | |
| SCHEMBL6892600 | 0.73 | KMT2A (0.55) | KMT2ATAAR1CDK4CCND1CDK2 | |
| SCHEMBL27336638 | 0.72 | KMT2A (0.54) | KMT2ATAAR1CDK4CCND1CDK2 | |
| Hexane SCHEMBL27913412 | 0.72 | SMN1; SMN2 (0.51) | KMT2ATAAR1NPC1SMN1; SMN2CDK4 | |
| SCHEMBL18701548 | 0.68 | CDK4 (0.68) | CDK4CCND1CDK2 | |
| SCHEMBL1130838 | 0.68 | SMN1; SMN2 (0.80) | NPC1SMN1; SMN2CDK4CCND1MTNR1A | |
| Propane SCHEMBL27808107 | 0.67 | KMT2A (0.51) | KMT2ATAAR1SMN1; SMN2CDK4CCND1 | |
| SCHEMBL3304511 | 0.67 | CDK4 (0.52) | KMT2ATAAR1SMN1; SMN2CDK4CCND1 | |
| Benzene SCHEMBL27493906 | 0.67 | CDK4 (0.52) | KMT2ATAAR1SMN1; SMN2CDK4CCND1 | |
| SCHEMBL27558242 | 0.67 | CDK4 (0.52) | KMT2ATAAR1SMN1; SMN2CDK4CCND1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0405537-B1 | N-substituted cycloalkyl and polycycloalkyl alpha-substituted Trp-Phe- and phenethylamine derivatives | WARNER LAMBERT CO (US) | 2004-09-08 | — | — | EP | claimed |
| EP-0594692-A1 | CHOLECYSTOKININ ANTAGONISTS USEFUL IN THE TREATMENT OF PANIC ATTACKS | WARNER-LAMBERT COMPANY (US) | 1994-05-04 | — | — | EP | disclosed |