Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.72 |
| ▸ | RAB9A | P51151 | 7/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | HPGD | P15428 | 3/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 7/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3614432 | 0.85 | CYP2A6 (1.00) | CYP2A6ALDH1A1SMN1; SMN2HTTMAPT | |
| SCHEMBL2274986 | 0.75 | NPC1 (0.76) | CYP2A6RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL3607989 | 0.75 | RAB9A (0.58) | CYP2A6RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL3612124 | 0.75 | NPC1 (0.72) | RAB9AKDM4EALDH1A1HSD17B10CA2 | |
| SCHEMBL3612267 | 0.74 | KDM4E (0.55) | RAB9AKDM4EALDH1A1HPGDHSD17B10 | |
| Hydrochloric Acid SCHEMBL4929292 | 0.73 | NPC1 (0.73) | CYP2A6RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL9058679 | 0.71 | RAB9A (1.00) | CYP2A6RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL13197417 | 0.70 | NPC1 (0.74) | RAB9AKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL221529 | 0.70 | CYP2A6 (0.51) | CYP2A6RAB9AALDH1A1HSD17B10NPC1 | |
| SCHEMBL221531 | 0.70 | CYP2A6 (0.51) | CYP2A6RAB9AKDM4EALDH1A1HSD17B10 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100029685-A1 | OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS | NEUROSEARCH A/S (DK) | 2010-02-04 | — | — | US | claimed |
| EP-2079734-A1 | OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS | NeuroSearch A/S (DK) | 2009-07-22 | — | — | EP | claimed |
| WO-2008049864-A1 | OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS | NEUROSEARCH A/S (DK) | 2008-05-02 | — | — | WO | claimed |
| US-20100029685-A1 | OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS | NEUROSEARCH A/S (DK) | 2010-02-04 | — | — | US | disclosed |
| EP-2079734-A1 | OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS | NeuroSearch A/S (DK) | 2009-07-22 | — | — | EP | disclosed |
| WO-2008049864-A1 | OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS | NEUROSEARCH A/S (DK) | 2008-05-02 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100029685-A1 | OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS | CHRNA3, CHRNA5, CHRNB3 | CYP2A6 2315/4885RAB9A 3855/4885KDM4E 3713/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.