Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | CES2 | O00748 | 1/20 | 0.55 |
| ▸ | CES1 | P23141 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.53 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29516254 | 0.84 | ALDH1A1 (0.61) | ALDH1A1CES2CES1L3MBTL1LMNA | |
| SCHEMBL761925 | 0.84 | ALDH1A1 (0.61) | ALDH1A1CES2CES1L3MBTL1LMNA | |
| Hydrochloric Acid SCHEMBL16594352 | 0.82 | ALDH1A1 (0.59) | ALDH1A1CES2CES1L3MBTL1LMNA | |
| SCHEMBL11254855 | 0.82 | ALDH1A1 (0.59) | ALDH1A1CES2CES1L3MBTL1LMNA | |
| Hydrochloric Acid SCHEMBL31098456 | 0.82 | ALDH1A1 (0.59) | ALDH1A1CES2CES1L3MBTL1LMNA | |
| SCHEMBL18428315 | 0.81 | ALDH1A1 (0.57) | ALDH1A1CES2CES1L3MBTL1LMNA | |
| SCHEMBL20709045 | 0.81 | ALDH1A1 (0.57) | ALDH1A1CES2CES1L3MBTL1LMNA | |
| Hydrochloric Acid SCHEMBL22583360 | 0.79 | ALDH1A1 (0.55) | ALDH1A1CES2CES1L3MBTL1LMNA | |
| SCHEMBL2160308 | 0.78 | L3MBTL1 (0.55) | ALDH1A1CES2CES1L3MBTL1LMNA | |
| SCHEMBL16741186 | 0.78 | ALDH1A1 (0.53) | ALDH1A1CES2CES1L3MBTL1LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102584937-B | (3R) crystal form of 1 (2 methylalanyl-d D tryptophanyl) 3 (benzyl) 3 piperidine carboxylic acid 1,2,2 trimethylhydrazide | 赫尔辛医疗股份公司 | 2017-03-01 | — | — | CN | disclosed |