Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1B | P00325 | 4/20 | 0.35 |
| ▸ | ADH1A | P07327 | 4/20 | 0.35 |
| ▸ | ADH7 | P40394 | 3/20 | 0.35 |
| ▸ | ADH1C | P00326 | 3/20 | 0.35 |
| ▸ | ADH4 | P08319 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12213028 | 0.79 | — | — | |
| SCHEMBL6823774 | 0.73 | ADH1B (0.35) | ADH1BADH1AADH7ADH1CADH4 | |
| SCHEMBL13519296 | 0.73 | — | — | |
| SCHEMBL24920878 | 0.72 | P2RX7 (0.34) | ADH1BADH1AADH7ADH1CADH4 | |
| SCHEMBL2386429 | 0.72 | LMNA (0.49) | — | |
| SCHEMBL7624656 | 0.71 | SLC6A4 (0.40) | — | |
| SCHEMBL22366787 | 0.71 | SLC6A4 (0.40) | — | |
| SCHEMBL3931003 | 0.71 | — | — | |
| SCHEMBL20289519 | 0.70 | SLC6A4 (0.42) | — | |
| SCHEMBL10129163 | 0.70 | SLC6A4 (0.42) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2429993-B1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BOEHRINGER INGELHEIM INT (DE) | 2015-01-21 | — | — | EP | disclosed |
| EP-1902714-B1 | Prodrugs of gaba analogs, compositions and uses thereof | XENOPORT INC (US) | 2012-01-11 | — | — | EP | disclosed |
| WO-2010130034-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-11-18 | — | — | WO | disclosed |
| US-5817802-A | IN IONIZING MEDIUM WITH A TRIALKYLSILANE | MERCK & CO., INC. (US) | 1998-10-06 | — | — | US | disclosed |
| US-5696266-A | HYDROGENATING DELTA-5-STEROIDAL ENELACTAM DISSOLVED IN SOLVENT IN PRESENCE OF RHODIUM CATALYST | MERCK & CO., INC. (US) | 1997-12-09 | — | — | US | disclosed |
| WO-1996007643-A1 | PROCESS FOR THE STEREOSELECTIVE REDUCTION OF STEROID ENELACTAMS | MERCK & CO., INC. (US) | 1996-03-14 | — | — | WO | disclosed |