Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 7/20 | 0.36 |
| ▸ | CETP | P11597 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | NEK2 | P51955 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL587545 | 0.96 | OPRK1 (0.42) | OPRK1ALDH1A1MAPTNPSR1HPGD | |
| SCHEMBL581245 | 0.96 | TACR1 (0.38) | OPRK1ALDH1A1MAPTNPSR1HPGD | |
| SCHEMBL581020 | 0.85 | OPRK1 (0.35) | OPRK1ALDH1A1MAPTNPSR1HPGD | |
| SCHEMBL581238 | 0.85 | NPC1 (0.41) | ALDH1A1HSD17B10TACR1NPC1RAB9A | |
| SCHEMBL3081551 | 0.84 | TACR1 (0.39) | ALDH1A1NPSR1HPGDHSD17B10TACR1 | |
| SCHEMBL587423 | 0.83 | TACR1 (0.45) | ALDH1A1MAPTNPSR1HPGDHSD17B10 | |
| SCHEMBL587559 | 0.82 | TACR1 (0.43) | OPRK1ALDH1A1MAPTNPSR1HPGD | |
| SCHEMBL3087575 | 0.81 | MEN1 (0.36) | ALDH1A1MAPTTACR1CETPNPC1 | |
| SCHEMBL581268 | 0.81 | MEN1 (0.36) | ALDH1A1MAPTTACR1CETPNPC1 | |
| SCHEMBL581269 | 0.81 | MEN1 (0.36) | ALDH1A1MAPTTACR1CETPNPC1 |
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 |