Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.44 |
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.41 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.38 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | PLAU | P00749 | 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 | |
|---|---|---|---|---|
| SCHEMBL12088909 | 0.82 | ATM (0.46) | CYP1A2CYP2A6ATML3MBTL1PDPK1 | |
| SCHEMBL13792017 | 0.81 | MAPT (0.50) | CYP1A2CYP2A6ATML3MBTL1PDPK1 | |
| SCHEMBL4367341 | 0.78 | ATM (0.45) | CYP1A2CYP2A6ATML3MBTL1PDPK1 | |
| SCHEMBL873512 | 0.78 | CYP1A2 (0.54) | CYP1A2CYP2A6ATML3MBTL1PDPK1 | |
| SCHEMBL14274065 | 0.75 | CYP1A2 (0.47) | CYP1A2CYP2A6ATML3MBTL1PDPK1 | |
| SCHEMBL6114924 | 0.74 | ATM (0.57) | CYP1A2CYP2A6ATML3MBTL1PDPK1 | |
| SCHEMBL3823640 | 0.74 | ATM (0.51) | CYP1A2CYP2A6ATML3MBTL1PDPK1 | |
| SCHEMBL13977557 | 0.74 | ATM (0.51) | CYP1A2CYP2A6ATML3MBTL1PDPK1 | |
| SCHEMBL3639574 | 0.74 | PDPK1 (0.54) | CYP1A2CYP2A6ATML3MBTL1PDPK1 | |
| SCHEMBL2908675 | 0.74 | L3MBTL1 (0.51) | CYP1A2CYP2A6ATML3MBTL1PDPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2470012-B1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2014-11-05 | — | — | EP | disclosed |