Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | ABCG2 | Q9UNQ0 | 10/20 | 0.57 |
| ▸ | USP2 | O75604 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.56 |
| ▸ | PDE5A | O76074 | 4/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
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 SCHEMBL15966659 | 0.99 | MAPT (0.57) | MAPTCYP3A4KDM4ECYP1A2TSHR | |
| SCHEMBL14727222 | 0.90 | MAPT (0.60) | MAPTCYP3A4KDM4ECYP1A2TSHR | |
| SCHEMBL16184108 | 0.87 | ABCG2 (0.60) | MAPTCYP3A4KDM4ECYP1A2TSHR | |
| SCHEMBL15986596 | 0.86 | CYP1A2 (0.78) | MAPTCYP3A4KDM4ECYP1A2TSHR | |
| SCHEMBL14727175 | 0.85 | ABCG2 (0.62) | MAPTCYP3A4KDM4ECYP1A2TSHR | |
| Hydrochloric Acid SCHEMBL15966650 | 0.85 | CYP1A2 (0.76) | MAPTCYP3A4KDM4ECYP1A2TSHR | |
| SCHEMBL14473994 | 0.80 | CYP1A2 (0.58) | MAPTCYP3A4KDM4ECYP1A2TSHR | |
| SCHEMBL14359171 | 0.80 | CYP1A2 (0.70) | MAPTCYP3A4KDM4ECYP1A2TSHR | |
| SCHEMBL14474816 | 0.79 | MAPT (0.63) | MAPTCYP3A4KDM4ECYP1A2TSHR | |
| SCHEMBL14727258 | 0.79 | ABCG2 (0.62) | MAPTCYP3A4KDM4ECYP1A2TSHR |
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 |