Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | MET | P08581 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.51 |
| ▸ | CLK4 | Q9HAZ1 | 6/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | XBP1 | P17861 | 1/20 | 0.50 |
| ▸ | STAT3 | P40763 | 1/20 | 0.50 |
| ▸ | GSK3A | P49840 | 1/20 | 0.50 |
| ▸ | GSK3B | P49841 | 1/20 | 0.50 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.50 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.50 |
| ▸ | PPARG | P37231 | 1/20 | 0.50 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.50 |
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 SCHEMBL15966819 | 0.99 | LMNA (0.51) | LMNAMETCYP1A2CLK4CYP3A4 | |
| SCHEMBL15985696 | 0.88 | LMNA (0.53) | LMNACYP1A2CLK4CYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL15966743 | 0.87 | LMNA (0.52) | LMNACYP1A2CLK4CYP3A4CYP2C19 | |
| SCHEMBL15977129 | 0.84 | ABCG2 (0.57) | LMNACYP1A2CLK4CYP3A4CYP2C19 | |
| SCHEMBL15985681 | 0.84 | LMNA (0.53) | LMNACYP1A2CLK4CYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL15966688 | 0.83 | LMNA (0.52) | LMNACYP1A2CLK4CYP3A4CYP2C19 | |
| SCHEMBL15976914 | 0.82 | CYP1A2 (0.43) | LMNAMETCYP1A2CLK4CYP3A4 | |
| Hydrochloric Acid SCHEMBL15966824 | 0.81 | CYP1A2 (0.43) | LMNAMETCYP1A2CLK4CYP3A4 | |
| SCHEMBL15976947 | 0.79 | LMNA (0.50) | LMNACYP1A2CLK4CYP3A4CYP2C19 | |
| SCHEMBL15985701 | 0.79 | LMNA (0.50) | LMNACYP1A2CLK4CYP3A4CYP2C19 |
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-2014128213-A1 | COMPOUNDS FOR USE IN INHIBITING HIV CAPSID ASSEMBLY | Ruprecht-Karls-Universität Heidelberg (DE) | 2014-08-28 | — | — | WO | disclosed |
| EP-2769722-A1 | Compounds for use in inhibiting HIV capsid assembly | Ruprecht-Karls-Universität Heidelberg (DE) | 2014-08-27 | — | — | EP | disclosed |