Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 4/20 | 0.61 |
| ▸ | CMA1 | P23946 | 2/20 | 0.61 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.54 |
| ▸ | CRBN | Q96SW2 | 3/20 | 0.50 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 4/20 | 0.41 |
| ▸ | TDP2 | O95551 | 4/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1681854 | 0.86 | AHR (0.56) | AHRCMA1EIF2AK2PDK2MAOB | |
| SCHEMBL29754233 | 0.84 | CA9 (0.57) | AHRCMA1CRBNMAOBMAOA | |
| SCHEMBL14843503 | 0.84 | CA9 (0.57) | AHRCMA1CRBNMAOBMAOA | |
| SCHEMBL4509576 | 0.82 | AHR (0.56) | AHRCMA1EIF2AK2CRBNPDK2 | |
| SCHEMBL2811609 | 0.82 | AHR (0.56) | AHRCMA1EIF2AK2CRBNPDK2 | |
| SCHEMBL24570314 | 0.82 | AHR (0.61) | AHRCMA1EIF2AK2CRBNPDK2 | |
| SCHEMBL29746444 | 0.82 | AHR (0.61) | AHRCMA1EIF2AK2CRBNPDK2 | |
| SCHEMBL29746650 | 0.82 | AHR (0.56) | AHRCMA1EIF2AK2CRBNPDK2 | |
| SCHEMBL12123840 | 0.82 | AHR (0.56) | AHRCMA1EIF2AK2CRBNPDK2 | |
| SCHEMBL23725485 | 0.81 | MAPT (0.53) | AHRCMA1CRBNMAOBMAOA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015143376-A1 | NOVEL COMPOUNDS FOR THE TREATMENT OF CYSTIC FIBROSIS | NIVALIS THERAPEUTICS, INC. (US) | 2015-09-24 | — | — | WO | disclosed |
| EP-2427445-A1 | SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 | AstraZeneca AB (SE) | 2012-03-14 | — | — | EP | disclosed |
| WO-2010142985-A1 | SUBSTITUTED N-[1-CYANO-2-(PHENYL)ETHYL]PIPERIDIN-2-YLCARBOXMIDE COMPOUNDS 761 | ASTRAZENECA AB (SE) | 2010-12-16 | — | — | WO | disclosed |
| WO-2010128324-A1 | SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 | ASTRAZENECA AB (SE) | 2010-11-11 | — | — | WO | disclosed |