Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.40 |
| ▸ | CHRNG | P07510 | 1/20 | 0.40 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | CHRND | Q07001 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.39 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 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 | |
|---|---|---|---|---|
| SCHEMBL5754881 | 0.86 | CACNA1C (0.46) | TSHRALDH1A1CACNA1FADORA3CACNA1D | |
| SCHEMBL27475219 | 0.82 | LMNA (0.38) | KDM1ATSHRCHRNA1CHRNGCHRNB1 | |
| SCHEMBL5755488 | 0.75 | CACNA1C (0.49) | TSHRALDH1A1CACNA1FADORA3CACNA1D | |
| SCHEMBL5755491 | 0.75 | ALDH1A1 (0.43) | KDM1ATDP1TSHRTP53CHRNA1 | |
| SCHEMBL4701920 | 0.71 | TDP1 (0.56) | TDP1TSHRALDH1A1LMNAMAPT | |
| Dinitrophenylene SCHEMBL27949448 | 0.67 | TSHR (0.65) | TSHRTP53ALDH1A1CES2CES1 | |
| SCHEMBL6983639 | 0.66 | POLB (0.45) | KDM1ATDP1TSHRCHRNA1CHRNG | |
| Dinitrophenylene SCHEMBL27310077 | 0.65 | TSHR (0.74) | TDP1TSHRTP53ALDH1A1CES2 | |
| Dinitrophenylene SCHEMBL28593652 | 0.65 | TSHR (0.74) | TDP1TSHRTP53ALDH1A1CES2 | |
| Dinitrophenylene SCHEMBL27388756 | 0.65 | TSHR (0.74) | TDP1TSHRTP53ALDH1A1CES2 |
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 |