Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | PDE2A | O00408 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.38 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.38 |
| ▸ | BRS3 | P32247 | 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 | |
|---|---|---|---|---|
| SCHEMBL16462491 | 0.83 | SMN1; SMN2 (0.50) | SMN1; SMN2ALDH1A1KDM4EMAPTHSP90AA1 | |
| SCHEMBL16254374 | 0.82 | MAPT (0.44) | SMN1; SMN2KDM4EMAPTCYP1A2CYP2D6 | |
| SCHEMBL7256083 | 0.79 | CAPN1 (0.46) | ALDH1A1KDM4EMAPTPDE2APPARG | |
| Hydrochloric Acid SCHEMBL6574264 | 0.78 | CAPN1 (0.45) | ALDH1A1KDM4EMAPTPDE2APPARG | |
| SCHEMBL5998963 | 0.76 | SMN1; SMN2 (0.45) | SMN1; SMN2ALDH1A1KDM4EMAPTHSP90AA1 | |
| SCHEMBL5998960 | 0.76 | SMN1; SMN2 (0.45) | SMN1; SMN2ALDH1A1KDM4EMAPTHSP90AA1 | |
| SCHEMBL8245526 | 0.75 | SMN1; SMN2 (0.50) | SMN1; SMN2ALDH1A1KDM4EMAPTHSP90AA1 | |
| SCHEMBL2657909 | 0.74 | QPCT (0.56) | SMN1; SMN2ALDH1A1KDM4EMAPTHSP90AA1 | |
| SCHEMBL9771673 | 0.74 | CYP3A4 (0.48) | ALDH1A1CYP1A2CYP2C9CYP2C19PPARG | |
| SCHEMBL30404138 | 0.74 | CYP3A4 (0.48) | ALDH1A1CYP1A2CYP2C9CYP2C19PPARG |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997011960-A1 | ANTAGONISTS OF ENDOTHELIN RECEPTORS | JAPAT LTD. (CH) | 1997-04-03 | — | — | WO | disclosed |