Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | ATR | Q13535 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 7/20 | 0.36 |
| ▸ | RAB9A | P51151 | 7/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | PIP5K1C | O60331 | 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 | |
|---|---|---|---|---|
| SCHEMBL2042242 | 0.83 | HDAC4 (0.38) | CA1CA2ATRNPC1RAB9A | |
| SCHEMBL2042773 | 0.81 | CYP11B2 (0.39) | CYP2A6NPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL3607989 | 0.74 | RAB9A (0.58) | CA2CYP2A6NPC1RAB9AKDM4E | |
| SCHEMBL24921576 | 0.72 | CA1 (0.59) | CA1CA2ATRCYP2A6NPC1 | |
| SCHEMBL2039702 | 0.72 | INPPL1 (0.41) | CYP2A6NPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL24653534 | 0.71 | CA1 (0.62) | CA1CA2ATRCYP2A6NPC1 | |
| SCHEMBL2042399 | 0.69 | CYP11B1 (0.42) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL26671610 | 0.69 | CA1 (0.56) | CA1CA2ATRCYP2A6NPC1 | |
| SCHEMBL19427942 | 0.67 | CA1 (0.53) | CA1CA2ATRKDM4EALDH1A1 | |
| SCHEMBL6660584 | 0.66 | APP (0.66) | CYP2A6NPC1KDM4EALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011073299-A1 | PYRIDINYL OXADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS | NEUROSEARCH A/S (DK) | 2011-06-23 | — | — | WO | claimed |
| WO-2011073299-A1 | PYRIDINYL OXADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS | NEUROSEARCH A/S (DK) | 2011-06-23 | — | — | WO | disclosed |