Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.41 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.40 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL155784 | 0.76 | ALDH1A1 (0.68) | ALDH1A1MAPTHPGDL3MBTL1TSHR | |
| SCHEMBL1143469 | 0.76 | KDM4E (0.67) | ALDH1A1KDM4ELMNAMAPTHPGD | |
| SCHEMBL29723752 | 0.76 | ALDH1A1 (0.68) | ALDH1A1MAPTHPGDL3MBTL1TSHR | |
| SCHEMBL7328830 | 0.76 | PDE4A (0.50) | ALDH1A1KDM4ELMNAMAPTHPGD | |
| SCHEMBL1116276 | 0.76 | HTRA2 (0.56) | ALDH1A1KDM4ELMNAMAPTHPGD | |
| SCHEMBL6385751 | 0.74 | PDE4A (0.69) | ALDH1A1KDM4ELMNAMAPTHPGD | |
| SCHEMBL6009501 | 0.73 | ALDH1A1 (0.62) | ALDH1A1KDM4EMAPTHPGDTSHR | |
| SCHEMBL12177745 | 0.72 | ALDH1A1 (0.69) | ALDH1A1KDM4ELMNAMAPTHPGD | |
| SCHEMBL3972458 | 0.71 | ALDH1A1 (0.55) | ALDH1A1MAPTHPGDL3MBTL1TSHR | |
| SCHEMBL398700 | 0.70 | ALDH1A1 (0.67) | ALDH1A1KDM4ELMNAMAPTHPGD |
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-1189891-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION Bioscience AG (DE) | 2002-03-27 | — | — | EP | disclosed |
| WO-2001000594-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-01-04 | — | — | WO | disclosed |