Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 7/20 | 0.46 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.38 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.38 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.38 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.38 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.38 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.38 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.38 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL581526 | 1.00 | TACR1 (0.46) | TACR1NOTUMCYP3A4MAPTMAPK1 | |
| SCHEMBL581527 | 1.00 | TACR1 (0.46) | TACR1NOTUMCYP3A4MAPTMAPK1 | |
| SCHEMBL581282 | 1.00 | TACR1 (0.46) | TACR1NOTUMCYP3A4MAPTMAPK1 | |
| SCHEMBL587559 | 0.96 | TACR1 (0.43) | TACR1NOTUMCYP3A4MAPTMAPK1 | |
| SCHEMBL586823 | 0.91 | TACR1 (0.44) | TACR1CYP3A4MAPTMAPK1KCNH2 | |
| SCHEMBL581238 | 0.90 | NPC1 (0.41) | TACR1CYP3A4MAPK1KMT2A | |
| SCHEMBL580834 | 0.87 | NOTUM (0.41) | NOTUMCYP3A4MAPTKMT2A | |
| SCHEMBL581110 | 0.87 | TACR1 (0.48) | TACR1NOTUMHRH3KMT2ASIGMAR1 | |
| SCHEMBL581462 | 0.87 | NOTUM (0.49) | TACR1NOTUMKCNH2HRH3OPRD1 | |
| SCHEMBL581415 | 0.87 | NOTUM (0.43) | TACR1NOTUMCYP3A4HRH3KMT2A |
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 |