Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.47 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.43 |
| ▸ | TACR1 | P25103 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.38 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12800747 | 0.89 | ALDH1A1 (0.48) | ALDH1A1GAAGFERPDK2TACR1 | |
| SCHEMBL1669606 | 0.80 | CA12 (0.47) | ALDH1A1PDK2OPRM1TSHRHPGD | |
| SCHEMBL1669154 | 0.79 | OPRD1 (0.51) | ALDH1A1GAAGFERPDK2TACR1 | |
| SCHEMBL12800418 | 0.76 | OPRM1 (0.40) | OPRM1TACR1HTR2APTGDR2 | |
| SCHEMBL1668446 | 0.76 | OPRM1 (0.47) | ALDH1A1GAAOPRM1TACR1TSHR | |
| SCHEMBL24944048 | 0.74 | GAA (0.51) | ALDH1A1GAATSHRNFKB1TDP1 | |
| SCHEMBL16499058 | 0.74 | KDM1A (0.40) | ALDH1A1GAAGFEROPRM1 | |
| SCHEMBL24943646 | 0.74 | ERCC1 (0.44) | GAAOPRM1TACR1TSHRHPGD | |
| SCHEMBL24943732 | 0.72 | GAA (0.51) | ALDH1A1GAAOPRM1TSHRHPGD | |
| SCHEMBL24944632 | 0.71 | CA2 (0.47) | OPRM1TACR1 |
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 |