Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.64 |
| ▸ | CES1 | P23141 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 3/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.61 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.61 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | GSK3B | P49841 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | PKM | P14618 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | MITF | O75030 | 1/20 | 0.50 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.50 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL27654128 | 1.00 | CES2 (0.64) | CES2CES1LMNAL3MBTL1NAPRT | |
| SCHEMBL61183 | 0.98 | — | — | |
| SCHEMBL1505348 | 0.98 | — | — | |
| SCHEMBL4914089 | 0.98 | CES2 (0.67) | CES2CES1LMNAL3MBTL1NAPRT | |
| SCHEMBL16143265 | 0.95 | CES2 (0.64) | CES2CES1LMNAL3MBTL1NAPRT | |
| Hydrochloric Acid SCHEMBL30998088 | 0.95 | CES2 (0.64) | CES2CES1LMNAL3MBTL1NAPRT | |
| Hydrochloric Acid SCHEMBL17493405 | 0.95 | CES2 (0.64) | CES2CES1LMNAL3MBTL1NAPRT | |
| SCHEMBL9094627 | 0.95 | CES2 (0.64) | CES2CES1LMNAL3MBTL1NAPRT | |
| Hydrochloric Acid SCHEMBL1704886 | 0.95 | CES2 (0.64) | CES2CES1LMNAL3MBTL1NAPRT | |
| SCHEMBL9064565 | 0.95 | CES2 (0.64) | CES2CES1LMNAL3MBTL1NAPRT |
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-2622060-A1 | IMPROVED METHOD FOR ISOMERISATION OF HOP ALPHA-ACIDS TO ISO-ALPHA-ACIDS | Ifast NV (BE) | 2013-08-07 | — | — | EP | disclosed |
| WO-2012041994-A1 | IMPROVED METHOD FOR ISOMERISATION OF HOP ALPHA-ACIDS TO ISO-ALPHA-ACIDS | KATHOLIEKE UNIVERSITEIT LEUVEN (BE) | 2012-04-05 | — | — | WO | disclosed |