Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.41 |
| ▸ | WNT3A | P56704 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16741186 | 0.81 | ALDH1A1 (0.53) | ALDH1A1CES2CES1GAAL3MBTL1 | |
| SCHEMBL2160308 | 0.81 | L3MBTL1 (0.55) | ALDH1A1CES2CES1GAAL3MBTL1 | |
| Hydrochloric Acid SCHEMBL30476602 | 0.80 | ALDH1A1 (0.52) | ALDH1A1CES2CES1GAAL3MBTL1 | |
| SCHEMBL30975229 | 0.79 | ALOX15 (0.52) | ALDH1A1CES2CES1GAAL3MBTL1 | |
| SCHEMBL26676066 | 0.79 | ALDH1A1 (0.50) | ALDH1A1CES2CES1GAAL3MBTL1 | |
| SCHEMBL1281847 | 0.79 | LMNA (0.52) | ALDH1A1CES2CES1GAAL3MBTL1 | |
| SCHEMBL30975215 | 0.79 | ALDH1A1 (0.50) | ALDH1A1CES2CES1GAAL3MBTL1 | |
| SCHEMBL31098476 | 0.77 | NPC1 (0.53) | ALDH1A1CES2CES1GAAL3MBTL1 | |
| SCHEMBL31098597 | 0.77 | CNR1 (0.56) | ALDH1A1L3MBTL1LMNANAPRTP4HTM | |
| SCHEMBL29516254 | 0.77 | ALDH1A1 (0.61) | ALDH1A1CES2CES1GAAL3MBTL1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0822827-B1 | ANTAGONISTS OF LHRH | UNIV TEXAS (US) | 2003-03-05 | — | — | EP | disclosed |
| EP-0822827-A4 | ANTAGONISTS OF LHRH | UNIV TEXAS (US) | 2001-07-11 | — | — | EP | disclosed |
| EP-0822827-A1 | ANTAGONISTS OF LHRH | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1998-02-11 | — | — | EP | disclosed |
| WO-1996033729-A1 | ANTAGONISTS OF LHRH | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1996-10-31 | — | — | WO | disclosed |