Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | JAK3 | P52333 | 1/20 | 0.34 |
| ▸ | BTK | Q06187 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | TP53 | P04637 | 3/20 | 0.32 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.32 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | JAK1 | P23458 | 1/20 | 0.31 |
| ▸ | TYK2 | P29597 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16629074 | 0.89 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL16618926 | 0.86 | CYP2C9 (0.71) | CYP3A4CYP2C9CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL9914945 | 0.83 | CYP3A4 (0.72) | CYP3A4CYP2C9CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL2629197 | 0.77 | CYP3A4 (0.65) | CYP3A4CYP2C9CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL14754253 | 0.76 | CYP3A4 (0.67) | CYP3A4CYP2C9CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL1473305 | 0.76 | CYP3A4 (0.68) | CYP3A4CYP2C9CYP1A2CYP2C8CYP2D6 | |
| Hydrochloric Acid SCHEMBL1472468 | 0.75 | CYP3A4 (0.67) | CYP3A4CYP2C9CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL17954534 | 0.74 | CYP3A4 (0.62) | CYP3A4CYP2C9CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL14754234 | 0.73 | CYP3A4 (0.65) | CYP3A4CYP2C9CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL9914944 | 0.73 | CYP3A4 (0.75) | CYP3A4CYP2C9CYP1A2CYP2C8CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9920073-B2 | Compositions useful for inhibiting HIV-1 infection and methods using same | DREXEL UNIVERSITY (US) | 2018-03-20 | — | — | US | disclosed |
| WO-2015051230-A1 | NOVEL COMPOSITIONS USEFUL FOR INHIBITING HIV-1 INFECTION AND METHODS USING SAME | DREXEL UNIVERSITY (US) | 2015-04-09 | — | — | WO | disclosed |