Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 4/20 | 0.62 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.61 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.61 |
| ▸ | MAOA | P21397 | 2/20 | 0.61 |
| ▸ | MAOB | P27338 | 2/20 | 0.61 |
| ▸ | MET | P08581 | 4/20 | 0.56 |
| ▸ | CA12 | O43570 | 2/20 | 0.56 |
| ▸ | CA4 | P22748 | 2/20 | 0.56 |
| ▸ | CA6 | P23280 | 2/20 | 0.56 |
| ▸ | CA5A | P35218 | 2/20 | 0.56 |
| ▸ | CA7 | P43166 | 2/20 | 0.56 |
| ▸ | CA9 | Q16790 | 2/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.56 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.56 |
| ▸ | HTR7 | P34969 | 1/20 | 0.56 |
| ▸ | KDM1A | O60341 | 3/20 | 0.55 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL29565226 | 0.93 | HTR1A (0.69) | HTR1AABCB1AKR1B1MAOAMAOB | |
| Letestuianin B SCHEMBL29566679 | 0.93 | HTR1A (0.71) | HTR1AABCB1AKR1B1MAOAMAOB | |
| Letestuianin B SCHEMBL29566381 | 0.93 | HTR1A (0.71) | HTR1AABCB1AKR1B1MAOAMAOB | |
| Letestuianin B SCHEMBL376918 | 0.93 | HTR1A (0.71) | HTR1AABCB1AKR1B1MAOAMAOB | |
| SCHEMBL9534272 | 0.84 | APP (0.74) | ABCB1AKR1B1MAOAMAOBMET | |
| SCHEMBL9534270 | 0.84 | APP (0.74) | ABCB1AKR1B1MAOAMAOBMET | |
| SCHEMBL17019816 | 0.84 | ABCB1 (0.72) | ABCB1AKR1B1MAOAMAOBMET | |
| SCHEMBL23229889 | 0.83 | ALOX5 (0.58) | HTR1AMETCA12CA4CA6 | |
| SCHEMBL13310700 | 0.83 | GSK3B (0.58) | AKR1B1MAOBMETCA12CA4 | |
| SCHEMBL13310702 | 0.81 | CA12 (0.53) | HTR1AAKR1B1CA12CA4CA6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022090877-A1 | METAL COMPLEXES OF DIARYLHEPTANOIDS AND ITS DERIVATIVES | ARJUNA NATURAL PRIVATE LIMITED (IN) | 2022-05-05 | — | — | WO | disclosed |