Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | STAT3 | P40763 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14482765 | 0.79 | CYP2D6 (0.38) | CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL28897177 | 0.71 | MEN1 (0.44) | CYP3A4GRM5SMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL11698190 | 0.69 | CDK1 (0.38) | CYP2C9CYP2C19CA12CA1CA2 | |
| SCHEMBL21500005 | 0.69 | LMNA (0.46) | CA12CA1CA2CA9LMNA | |
| SCHEMBL14482761 | 0.66 | XDH (0.44) | CYP2D6CYP3A4CYP2C9CYP2C19CA12 | |
| SCHEMBL5712881 | 0.65 | CYP2C19 (0.52) | CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL9042054 | 0.65 | CHRM1 (0.47) | CHRM1 | |
| SCHEMBL17269660 | 0.65 | CYP2D6 (0.46) | CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL7497078 | 0.64 | PDE3B (0.32) | GRM5 | |
| SCHEMBL31498506 | 0.64 | PDE3B (0.32) | GRM5 |
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-2015014836-A1 | SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS | JANSSEN R&D IRELAND (IE) | 2015-02-05 | — | — | WO | disclosed |