Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | XDH | P47989 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1669451 | 0.80 | ALDH1A1 (0.47) | OPRM1HPGDALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL1668586 | 0.78 | OPRD1 (0.48) | OPRD1KDM4EALOX15OPRK1TSHR | |
| SCHEMBL12548174 | 0.74 | IP6K1 (0.56) | LMNAALDH1A1 | |
| Hydrochloric Acid SCHEMBL1949327 | 0.73 | IP6K1 (0.55) | LMNAALDH1A1 | |
| SCHEMBL31522049 | 0.73 | TSHR (0.60) | CA12CA1CA2CA7CA9 | |
| SCHEMBL26413647 | 0.72 | HTT (0.48) | KDM4EMEN1ALDH1A1MAPTHTT | |
| SCHEMBL24944621 | 0.72 | ESR1 (0.44) | CA12CA1CA2CA7XDH | |
| Acetic Acid SCHEMBL8333150 | 0.71 | OPRM1 (0.77) | OPRM1MEN1KMT2AKCNH2OPRL1 | |
| SCHEMBL13750323 | 0.71 | ALOX5AP (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL12800418 | 0.70 | OPRM1 (0.40) | OPRM1HTR2A |
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-2011048409-A1 | CYCLIC AMINE DERIVATIVES HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | ASTRAZENECA AB (SE) | 2011-04-28 | — | — | WO | disclosed |
| WO-2011048409-A1 | CYCLIC AMINE DERIVATIVES HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | ASTRAZENECA AB (SE) | 2011-04-28 | — | — | WO | disclosed |