Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.51 |
| ▸ | MAOB | P27338 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | GLA | P06280 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 8/20 | 0.44 |
| ▸ | CA9 | Q16790 | 8/20 | 0.44 |
| ▸ | CA1 | P00915 | 7/20 | 0.44 |
| ▸ | CA6 | P23280 | 4/20 | 0.44 |
| ▸ | CA7 | P43166 | 4/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.44 |
| ▸ | CA4 | P22748 | 4/20 | 0.44 |
| ▸ | CA5A | P35218 | 3/20 | 0.44 |
| ▸ | CA3 | P07451 | 2/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2580009 | 0.81 | MAOA (0.50) | MAOAMAOBKDM4EALDH1A1GLA | |
| SCHEMBL16674816 | 0.81 | MAOA (0.68) | MAOAMAOBKDM4EALDH1A1GLA | |
| SCHEMBL20321280 | 0.80 | MAOA (0.56) | MAOAMAOBKDM4EALDH1A1GLA | |
| 7-Cyclohexyloxycoumarin SCHEMBL14802688 | 0.80 | MAOA (0.67) | MAOAMAOBKDM4EALDH1A1GLA | |
| SCHEMBL28918558 | 0.75 | MAOA (0.61) | MAOAMAOBKDM4EALDH1A1GLA | |
| SCHEMBL28918559 | 0.75 | KDM4E (0.61) | MAOAMAOBKDM4EALDH1A1GLA | |
| SCHEMBL14802610 | 0.75 | MAOA (0.56) | MAOAMAOBKDM4EALDH1A1GLA | |
| 7-Cyclohexyloxycoumarin SCHEMBL28918560 | 0.74 | KDM4E (0.63) | MAOAMAOBKDM4EALDH1A1GLA | |
| SCHEMBL1951771 | 0.73 | MAOA (0.55) | MAOAMAOBKDM4EALDH1A1GLA | |
| SCHEMBL2584807 | 0.73 | CYP2A6 (0.47) | MAOAMAOBALDH1A1CA12CA9 |
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-1899303-B1 | NOVEL 3-AZA-SPIRO[5.5]UNDECANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS | NEUROSEARCH AS (DK) | 2010-09-15 | — | — | EP | claimed |