Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | TOP2A | P11388 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1921316 | 0.88 | ALDH1A1 (0.67) | ALDH1A1KDM4ECES2CES1L3MBTL1 | |
| SCHEMBL3816367 | 0.80 | KMT2A (0.59) | ALDH1A1KDM4ECES2CES1L3MBTL1 | |
| SCHEMBL1515056 | 0.78 | — | — | |
| SCHEMBL28251547 | 0.76 | ALDH1A1 (0.64) | ALDH1A1KDM4ECES2CES1L3MBTL1 | |
| SCHEMBL1930639 | 0.76 | — | — | |
| SCHEMBL947176 | 0.76 | — | — | |
| SCHEMBL3813782 | 0.75 | CTNNB1 (0.58) | ALDH1A1KDM4ECES2CES1L3MBTL1 | |
| SCHEMBL15141425 | 0.74 | — | — | |
| SCHEMBL6006624 | 0.74 | — | — | |
| SCHEMBL13130702 | 0.74 | ALDH1A1 (0.61) | ALDH1A1KDM4ECES2CES1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1763530-A1 | IMIDAZOPYRIDAZINE DIONES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS A MEDICAMENT | Boehringer Ingelheim International GmbH (DE) | 2007-03-21 | — | — | EP | disclosed |
| WO-2005087774-A1 | IMIDAZOPYRIDAZINE DIONES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS A MEDICAMENT | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-09-22 | — | — | WO | disclosed |