Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 13/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | HTR2B | P41595 | 1/20 | 0.49 |
| ▸ | MTOR | P42345 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.48 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL6691850 | 0.79 | KDM1A (0.47) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7960703 | 0.79 | KDM1A (0.44) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1333907 | 0.79 | KDM1A (0.47) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL19130231 | 0.79 | KDM1A (0.47) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9403725 | 0.77 | SIGMAR1 (0.54) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11079679 | 0.77 | KDM1A (0.45) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29417922 | 0.77 | SIGMAR1 (0.49) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29417920 | 0.77 | SIGMAR1 (0.49) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL15891588 | 0.75 | CASP6 (0.45) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL27323439 | 0.75 | SIGMAR1 (0.50) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 |
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-2009110002-A1 | NOVEL EFFLUX PUMP INHIBITORS | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2009-09-11 | — | — | WO | disclosed |