Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 5/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | XBP1 | P17861 | 1/20 | 0.46 |
| ▸ | STAT3 | P40763 | 1/20 | 0.46 |
| ▸ | GSK3A | P49840 | 1/20 | 0.46 |
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.46 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | ABL1 | P00519 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | BCR | P11274 | 1/20 | 0.46 |
| ▸ | SRC | P12931 | 1/20 | 0.46 |
| ▸ | PRKCA | P17252 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL15977013 | 0.84 | LMNA (0.52) | LMNACYP1A2SMN1; SMN2XBP1STAT3 | |
| Hydrochloric Acid SCHEMBL15966819 | 0.83 | LMNA (0.51) | LMNACYP1A2SMN1; SMN2XBP1STAT3 | |
| SCHEMBL3858988 | 0.83 | ABL1 (0.67) | ABL1EGFRBCRSRCPRKCA | |
| SCHEMBL655435 | 0.81 | NPC1 (0.55) | ABCG2LMNAGSK3AGSK3BCDK5 | |
| SCHEMBL15985696 | 0.78 | LMNA (0.53) | LMNACYP1A2SMN1; SMN2XBP1STAT3 | |
| Hydrochloric Acid SCHEMBL15966743 | 0.77 | LMNA (0.52) | LMNACYP1A2SMN1; SMN2XBP1STAT3 | |
| SCHEMBL15985701 | 0.74 | LMNA (0.50) | LMNACYP1A2SMN1; SMN2XBP1STAT3 | |
| SCHEMBL1980117 | 0.74 | CYP11B1 (0.51) | LMNACYP1A2MAPTHTTCYP3A4 | |
| Hydrochloric Acid SCHEMBL15966787 | 0.73 | LMNA (0.49) | LMNACYP1A2SMN1; SMN2XBP1STAT3 | |
| SCHEMBL15966858 | 0.72 | AURKA (0.63) | LMNACYP1A2SMN1; SMN2XBP1STAT3 |
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 |