Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 8/20 | 0.53 |
| ▸ | MEN1 | O00255 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.43 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL5359387 | 0.93 | MAPT (0.50) | MAPTMEN1KMT2ASMN1; SMN2CYP1A2 | |
| SCHEMBL5215826 | 0.88 | MAPT (0.47) | MAPTMEN1KMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL5214312 | 0.87 | MAPT (0.50) | MAPTMEN1KMT2ALMNATP53 | |
| SCHEMBL5215570 | 0.85 | MAPT (0.43) | MAPTMEN1KMT2ASMN1; SMN2LMNA | |
| Cyclopropane SCHEMBL27714655 | 0.85 | AOC3 (0.43) | MAPTMEN1KMT2ASMN1; SMN2CYP1A2 | |
| SCHEMBL5218842 | 0.85 | MAPT (0.48) | MAPTMEN1KMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL5217930 | 0.85 | KCNJ6 (0.48) | MAPTMEN1KMT2ASMN1; SMN2LMNA | |
| SCHEMBL5218792 | 0.85 | MAPT (0.43) | MAPTMEN1KMT2ASMN1; SMN2CYP1A2 | |
| SCHEMBL5222457 | 0.84 | RAB9A (0.47) | MAPTMEN1KMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL5215872 | 0.84 | MAPT (0.42) | MAPTMEN1KMT2ASMN1; SMN2CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1809380-A2 | INHIBITORS OF HIV-1 CAPSID FORMATION: SUBSTITUTED ARYL AMINOMETHYL THIAZOLE UREAS AND ANALOGUES THEREOF | Achillion Pharmaceuticals, Inc. (US) | 2007-07-25 | — | — | EP | disclosed |
| US-7183300-B2 | Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof | UNIVERSITY OF MARYLAND BALTIMORE COUNTY | 2007-02-27 | — | — | US | disclosed |
| WO-2006053323-A2 | INHIBITORS OF HIV-1 CAPSID FORMATION: SUBSTITUTED ARYL AMINOMETHYL THIAZOLE UREAS AND ANALOGUES THEREOF | ACHILLION PHARMACEUTICALS, INC. (US) | 2006-05-18 | — | — | WO | disclosed |