Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.37 |
| ▸ | CHKA | P35790 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.36 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.36 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.36 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5850350 | 0.81 | ABCB1 (0.41) | HRH3 | |
| Iodide SCHEMBL28776545 | 0.80 | ABCB1 (0.40) | HRH3 | |
| SCHEMBL3076567 | 0.79 | KMT2A (0.44) | KDM4EP2RX7KCNH2HRH3 | |
| SCHEMBL27852924 | 0.78 | AKR1B10 (0.37) | TACR1KDM4EALDH1A1KCNH2HRH3 | |
| SCHEMBL12056397 | 0.77 | KDM4E (0.43) | KDM4EALDH1A1CHKACARM1PRMT6 | |
| SCHEMBL7684256 | 0.75 | TACR1 (0.55) | TACR1ALDH1A1 | |
| SCHEMBL12266683 | 0.72 | TEAD1 (0.43) | SLC6A2SLC6A4HCRTR1HCRTR2P2RX7 | |
| SCHEMBL13963553 | 0.70 | — | — | |
| SCHEMBL4991727 | 0.69 | HTR2C (0.39) | SLC6A2SLC6A4P2RX7 | |
| SCHEMBL19411415 | 0.69 | ABCB1 (0.36) | TACR1SLC6A2SLC6A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2417131-A1 | ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS | AstraZeneca AB (SE) | 2012-02-15 | — | — | EP | disclosed |
| WO-2010117323-A1 | METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE | ASTRAZENECA AB (SE) | 2010-10-14 | — | — | WO | disclosed |