Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR2 | O15552 | 1/20 | 0.41 |
| ▸ | FPR2 | P25090 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6318948 | 0.71 | FFAR2 (0.42) | FFAR2FPR2TAAR1NPC1RAB9A | |
| SCHEMBL4682723 | 0.71 | ALDH1A1 (0.35) | FFAR2FPR2TAAR1NPC1RAB9A | |
| SCHEMBL17368399 | 0.70 | ALDH1A1 (0.38) | TAAR1NPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL4682720 | 0.69 | ALDH1A1 (0.37) | FPR2TAAR1CA1CA2ALDH1A1 | |
| SCHEMBL9772300 | 0.68 | FLT1 (0.50) | CA12CA1CA2CA9RAB9A | |
| SCHEMBL24810081 | 0.68 | ALDH1A1 (0.35) | FFAR2TAAR1ALDH1A1SMN1; SMN2 | |
| SCHEMBL15634740 | 0.68 | FFAR2 (0.40) | FFAR2FPR2TAAR1NPC1RAB9A | |
| SCHEMBL10834286 | 0.65 | NPC1 (0.70) | NPC1RAB9ACYP19A1HTTALDH1A1 | |
| SCHEMBL2625462 | 0.65 | CES2 (0.54) | CA12CA1CA2CA9HTT | |
| SCHEMBL8787162 | 0.63 | CES2 (0.52) | CA12CA1CA2CA9HTT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050272036-A1 | Ketones | ASTRAZENECA AB (SE) | 2005-12-08 | — | — | US | disclosed |
| EP-1549600-A1 | KETONES | AstraZeneca AB (SE) | 2005-07-06 | — | — | EP | disclosed |
| WO-2004011410-A1 | CHEMICAL COMPOUNDS | ASTRAZENECA AB (SE) | 2004-02-05 | — | — | WO | disclosed |