Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.57 |
| ▸ | CPT2 | P23786 | 1/20 | 0.45 |
| ▸ | ACLY | P53396 | 1/20 | 0.45 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Theobromine SCHEMBL27917708 | 0.84 | MAPK1 (0.66) | MAPK1CYP3A4PMP22PDE4AADORA2A | |
| Caffeine SCHEMBL5454805 | 0.83 | ADORA2B (0.56) | CPT2ACLYPDE4AADORA2APDE4B | |
| Theobromine SCHEMBL27899938 | 0.80 | MAPK1 (0.75) | MAPK1CYP3A4PMP22PDE4AADORA2A | |
| Theobromine SCHEMBL27899940 | 0.80 | MAPK1 (0.75) | MAPK1CYP3A4PMP22PDE4AADORA2A | |
| Theobromine SCHEMBL27899924 | 0.80 | MAPK1 (0.66) | MAPK1CYP3A4PMP22PDE4AADORA2A | |
| Theobromine SCHEMBL27899927 | 0.80 | MAPK1 (0.66) | MAPK1CYP3A4PMP22PDE4AADORA2A | |
| Theobromine SCHEMBL17912317 | 0.78 | MAPK1 (0.75) | MAPK1CYP3A4PMP22PDE4AADORA2A | |
| Theobromine SCHEMBL1764611 | 0.77 | PMP22 (0.84) | MAPK1CYP3A4PMP22PDE4AADORA2A | |
| Theobromine SCHEMBL27933569 | 0.77 | PMP22 (0.84) | MAPK1CYP3A4PMP22PDE4AADORA2A | |
| Theobromine SCHEMBL3184 | 0.76 | CYP3A4 (1.00) | MAPK1CYP3A4PMP22PDE4AADORA2A |
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-20070031526-A1 | Topical Deodorant Compositions Based on Hydroxycitric Acid | BIODERM RESEARCH (US) | 2007-02-08 | — | — | US | claimed |