Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL2438368 | 0.93 | CYP1A2 (0.40) | CYP1A2CYP2D6MAPTKMT2A | |
| SCHEMBL24034152 | 0.84 | CYP1A2 (0.34) | CYP1A2CYP2D6CYP11B1CYP11B2 | |
| SCHEMBL5603982 | 0.76 | CYP11B1 (0.30) | CYP11B1CYP11B2 | |
| SCHEMBL761956 | 0.74 | CYP11B1 (0.35) | CYP11B1CYP11B2 | |
| SCHEMBL22576696 | 0.74 | CYP11B1 (0.35) | CYP11B1CYP11B2 | |
| SCHEMBL24034155 | 0.74 | POLB (0.39) | CYP1A2CYP2D6KMT2A | |
| SCHEMBL24034153 | 0.74 | POLB (0.32) | — | |
| SCHEMBL22615889 | 0.73 | KDM4E (0.31) | CYP1A2CYP2D6 | |
| SCHEMBL30343506 | 0.71 | POLB (0.39) | CYP1A2CYP2D6KMT2A | |
| SCHEMBL23532046 | 0.71 | CYP11B1 (0.34) | CYP1A2CYP2D6CYP11B1CYP11B2MAPT |
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-8138209-B2 | Substituted picolinamides as MAO-B inhibitors useful for treating obesity | JENRIN DISCOVERY, INC. (US) | 2012-03-20 | — | — | US | disclosed |