Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | SHBG | P04278 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17208935 | 0.82 | CYP2A6 (0.50) | CYP2A6CYP1A2TDP1PDE4APDE4B | |
| SCHEMBL8313745 | 0.81 | MEN1 (0.46) | CYP2A6CYP1A2TDP1PDE4APDE4B | |
| SCHEMBL14472704 | 0.81 | CYP2A6 (0.42) | CYP2A6TDP1PDE4APDE4BPDE4C | |
| SCHEMBL14472634 | 0.81 | CYP2A6 (0.42) | CYP2A6TDP1PDE4APDE4BPDE4C | |
| SCHEMBL14733994 | 0.79 | CYP2A6 (0.42) | CYP2A6CYP1A2TDP1KDM4EALDH1A1 | |
| SCHEMBL806312 | 0.78 | PDE4A (0.61) | CYP2A6CYP1A2TDP1PDE4APDE4B | |
| SCHEMBL606287 | 0.78 | CYP1A2 (0.77) | CYP2A6CYP1A2TDP1KDM4EALDH1A1 | |
| SCHEMBL29595072 | 0.78 | CYP1A2 (0.77) | CYP2A6CYP1A2TDP1KDM4EALDH1A1 | |
| SCHEMBL92914 | 0.76 | TAAR1 (0.56) | TDP1KDM4EALDH1A1GAAHPGD | |
| SCHEMBL95787 | 0.76 | TP53 (0.48) | TDP1KDM4EALDH1A1LMNAGAA |
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-2012036253-A1 | HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE. | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2012-03-22 | — | — | WO | disclosed |