Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.70 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.70 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.70 |
| ▸ | MEN1 | O00255 | 2/20 | 0.70 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.70 |
| ▸ | GLA | P06280 | 1/20 | 0.70 |
| ▸ | TSHR | P16473 | 1/20 | 0.70 |
| ▸ | GBA1 | P04062 | 15/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.50 |
| ▸ | LATS1 | O95835 | 1/20 | 0.50 |
| ▸ | LATS2 | Q9NRM7 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL15966750 | 0.99 | CYP1A2 (0.68) | CYP1A2CYP3A4CYP2D6CYP2C9CLK4 | |
| SCHEMBL16183452 | 0.90 | CYP1A2 (0.64) | CYP1A2CYP3A4CYP2D6CYP2C9CLK4 | |
| SCHEMBL14727523 | 0.85 | CYP1A2 (0.70) | CYP1A2CYP3A4CYP2D6CYP2C9CLK4 | |
| SCHEMBL20609337 | 0.82 | ALDH1A1 (1.00) | CYP1A2CYP3A4CYP2D6CYP2C9CLK4 | |
| SCHEMBL14474975 | 0.81 | MEN1 (0.65) | CYP1A2CYP3A4CYP2D6CYP2C9CLK4 | |
| SCHEMBL14475027 | 0.81 | CYP1A2 (0.65) | CYP1A2CYP3A4CYP2D6CYP2C9CLK4 | |
| SCHEMBL14475090 | 0.81 | CYP1A2 (0.65) | CYP1A2CYP3A4CYP2D6CYP2C9CLK4 | |
| SCHEMBL14475135 | 0.81 | CYP3A4 (0.61) | CYP1A2CYP3A4CYP2D6CYP2C9CLK4 | |
| SCHEMBL14475059 | 0.81 | CYP1A2 (0.61) | CYP1A2CYP3A4CYP2D6CYP2C9CLK4 | |
| SCHEMBL14475208 | 0.81 | CYP1A2 (0.64) | CYP1A2CYP3A4CYP2D6CYP2C9CLK4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014128206-A1 | COMPOUNDS FOR USE IN INHIBITING HIV CAPSID ASSEMBLY | Ruprecht-Karls-Universität Heidelberg (DE) | 2014-08-28 | — | — | WO | disclosed |
| EP-2769723-A1 | Compounds for use in inhibiting HIV capsid assembly | Ruprecht-Karls-Universität Heidelberg (DE) | 2014-08-27 | — | — | EP | disclosed |