Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.39 |
| ▸ | CHRNG | P07510 | 1/20 | 0.39 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | CHRND | Q07001 | 1/20 | 0.39 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.38 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5757199 | 0.75 | KDM1A (0.41) | ALDH1A1KDM1ATSHRTP53SMN1; SMN2 | |
| SCHEMBL5754881 | 0.69 | CACNA1C (0.46) | ALDH1A1POLBTSHRCACNA1FADORA3 | |
| SCHEMBL11391488 | 0.69 | ALDH1A1 (0.43) | ALDH1A1POLBTSHRSMN1; SMN2CACNA1F | |
| SCHEMBL5755488 | 0.68 | CACNA1C (0.49) | ALDH1A1POLBTSHRCACNA1FADORA3 | |
| Dinitrophenylene SCHEMBL27949448 | 0.67 | TSHR (0.65) | ALDH1A1POLBTSHRTP53SMN1; SMN2 | |
| SCHEMBL6679093 | 0.67 | TP53 (0.51) | ALDH1A1KDM1APOLBTSHRTP53 | |
| SCHEMBL4701920 | 0.65 | TDP1 (0.56) | ALDH1A1POLBTSHRSMN1; SMN2TDP1 | |
| SCHEMBL6676866 | 0.65 | AKR1C1 (0.57) | ALDH1A1KDM1APOLBTSHRTP53 | |
| SCHEMBL6676255 | 0.65 | AKR1C1 (0.53) | ALDH1A1KDM1APOLBTSHRTP53 | |
| Dinitrophenylene SCHEMBL28593652 | 0.64 | TSHR (0.74) | ALDH1A1POLBTSHRTP53SMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1140828-B1 | 3-AZABICYCLO¬3.1.0|HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS | PFIZER LTD (GB) | 2006-08-09 | — | — | EP | disclosed |