Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 2/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 7/20 | 0.35 |
| ▸ | NPC1 | O15118 | 6/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | HPGD | P15428 | 4/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2038123 | 0.78 | RAB9A (0.59) | CYP11B2CYP11B1RAB9ANPC1KDM4E | |
| SCHEMBL2041592 | 0.78 | ATR (0.40) | ATRCYP11B2CYP11B1RAB9ANPC1 | |
| SCHEMBL3611591 | 0.77 | NOTUM (0.50) | ATRCYP11B2RAB9ANPC1ALDH1A1 | |
| SCHEMBL2042773 | 0.76 | CYP11B2 (0.39) | CYP11B2CYP2A6CYP2B6CYP2E1CYP11B1 | |
| SCHEMBL3612023 | 0.70 | RAB9A (0.39) | ATRCYP11B2CYP2A6CYP2B6CYP2E1 | |
| SCHEMBL3619213 | 0.69 | NOTUM (0.49) | ATRRAB9ANPC1MAOAMAOB | |
| SCHEMBL3609349 | 0.68 | NPC1 (0.66) | CYP11B2RAB9ANPC1MAOAMAOB | |
| SCHEMBL2539950 | 0.67 | CYP11B2 (0.56) | CYP11B2CYP2A6CYP2B6CYP2E1CYP11B1 | |
| SCHEMBL3612931 | 0.67 | MMP3 (0.46) | ATRCYP11B2CYP11B1RAB9ANPC1 | |
| SCHEMBL16420627 | 0.64 | ATR (0.73) | ATR |
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 |