Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.66 |
| ▸ | MAPT | P10636 | 3/20 | 0.66 |
| ▸ | TSHR | P16473 | 2/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.66 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.66 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.66 |
| ▸ | HPGD | P15428 | 1/20 | 0.66 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.66 |
| ▸ | ABCG2 | Q9UNQ0 | 6/20 | 0.64 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.63 |
| ▸ | LMNA | P02545 | 2/20 | 0.63 |
| ▸ | USP2 | O75604 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.63 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | PDE5A | O76074 | 2/20 | 0.57 |
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 SCHEMBL15966705 | 0.99 | CYP1A2 (0.65) | CYP1A2CYP3A4MAPTTSHRCYP2C19 | |
| SCHEMBL15977150 | 0.83 | CYP1A2 (0.67) | CYP1A2CYP3A4MAPTTSHRCYP2C19 | |
| Hydrochloric Acid SCHEMBL15966802 | 0.82 | CYP1A2 (0.66) | CYP1A2CYP3A4MAPTTSHRCYP2C19 | |
| SCHEMBL15986596 | 0.81 | CYP1A2 (0.78) | CYP1A2CYP3A4MAPTTSHRCYP2C19 | |
| Hydrochloric Acid SCHEMBL15966650 | 0.80 | CYP1A2 (0.76) | CYP1A2CYP3A4MAPTTSHRCYP2C19 | |
| SCHEMBL1083757 | 0.80 | MAPT (0.80) | CYP1A2CYP3A4MAPTTSHRCYP2C19 | |
| SCHEMBL15977152 | 0.79 | CYP1A2 (0.75) | CYP1A2CYP3A4MAPTTSHRCYP2C19 | |
| SCHEMBL7280796 | 0.78 | CYP1A2 (1.00) | CYP1A2CYP3A4MAPTTSHRCYP2C19 | |
| Hydrochloric Acid SCHEMBL15966651 | 0.78 | CYP1A2 (0.73) | CYP1A2CYP3A4MAPTTSHRCYP2C19 | |
| SCHEMBL14727375 | 0.78 | PDE5A (0.62) | CYP1A2CYP3A4MAPTTSHRCYP2C19 |
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 |