Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 11/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HBB | P68871 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30846904 | 0.92 | GLA (0.39) | ACHECYP2D6BCHEKDM4EALDH1A1 | |
| SCHEMBL23199812 | 0.86 | SMN1; SMN2 (0.39) | CYP1A2ALDH1A1MAPTMAPK1LMNA | |
| Hydrochloric Acid SCHEMBL23199806 | 0.83 | SMN1; SMN2 (0.40) | KDM4EALDH1A1MAPTLMNA | |
| SCHEMBL9938270 | 0.80 | ACHE (0.40) | ACHEBCHE | |
| SCHEMBL30846897 | 0.77 | CYP1A2 (0.58) | ACHECYP1A2CYP2D6CYP2C19BCHE | |
| Hydrochloric Acid SCHEMBL31665720 | 0.75 | ACHE (0.32) | ACHEBCHE | |
| SCHEMBL9938286 | 0.74 | ACHE (0.38) | ACHEBCHEKDM4EALDH1A1LMNA | |
| SCHEMBL29871537 | 0.73 | GAA (0.43) | CYP1A2CYP2C19KDM4EALDH1A1MAPT | |
| SCHEMBL668901 | 0.73 | CA12 (0.41) | KDM4EALDH1A1MAPTLMNA | |
| SCHEMBL19253296 | 0.71 | NCEH1 (0.30) | MAPT |
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-2012027957-A1 | BUFALIN DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF | SUZHOU NEUPHARMA CO., LTD. (CN) | 2012-03-08 | — | — | WO | disclosed |