Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 7/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.59 |
| ▸ | TSHR | P16473 | 4/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | KDM1A | O60341 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 1/20 | 0.52 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | PDCD1LG2 | Q9BQ51 | 1/20 | 0.42 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL20455758 | 0.83 | CYP2D6 (0.64) | CYP2D6CYP3A4TSHRCYP1A2KDM1A | |
| SCHEMBL1426593 | 0.82 | CYP2D6 (0.84) | CYP2D6CYP3A4TSHRCYP1A2KDM1A | |
| Hydrochloric Acid SCHEMBL20455783 | 0.81 | CYP2D6 (0.61) | CYP2D6CYP3A4TSHRCYP1A2KDM1A | |
| Hydrochloric Acid SCHEMBL3013775 | 0.81 | CYP2D6 (0.82) | CYP2D6CYP3A4TSHRCYP1A2KDM1A | |
| SCHEMBL19850536 | 0.80 | CYP3A4 (0.85) | CYP2D6CYP3A4TSHRCYP1A2KDM1A | |
| SCHEMBL20556630 | 0.79 | CYP2D6 (0.59) | CYP2D6CYP3A4TSHRCYP1A2KDM1A | |
| Hydrochloric Acid SCHEMBL20455796 | 0.78 | CYP2D6 (0.57) | CYP2D6CYP3A4TSHRCYP1A2KDM1A | |
| Hydrochloric Acid SCHEMBL20455756 | 0.76 | CYP3A4 (0.57) | CYP2D6CYP3A4TSHRCYP1A2KDM1A | |
| SCHEMBL17609032 | 0.74 | CYP2D6 (0.84) | CYP2D6CYP3A4TSHRCYP1A2CYP2C19 | |
| SCHEMBL4130505 | 0.73 | TSHR (0.82) | CYP2D6CYP3A4TSHRCYP1A2CYP2C19 |
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-2020150372-A1 | ANTIMICROBIAL COMPOUNDS AND METHODS | CURZA GLOBAL, LLC (US) | 2020-07-23 | — | — | WO | disclosed |