Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | PLA2G2A | P14555 | 3/20 | 0.34 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | ENPP2 | Q13822 | 4/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30680862 | 0.89 | ALDH1A1 (0.52) | ALDH1A1LMNACES2CES1FFAR3 | |
| SCHEMBL27747948 | 0.86 | ALDH1A1 (0.50) | ALDH1A1LMNACES2CES1FFAR3 | |
| SCHEMBL29086569 | 0.84 | DGKA (0.50) | LMNAPLA2G2AENPP2 | |
| SCHEMBL28177293 | 0.82 | ALDH1A1 (0.33) | ALDH1A1LMNAPLA2G2ATSHR | |
| SCHEMBL30098820 | 0.81 | ALDH1A1 (0.44) | ALDH1A1LMNACES2CES1 | |
| SCHEMBL7655068 | 0.80 | ALDH1A1 (0.48) | ALDH1A1LMNACES2CES1FFAR3 | |
| SCHEMBL60769 | 0.79 | ALDH1A1 (0.52) | ALDH1A1LMNACES2CES1FFAR3 | |
| SCHEMBL28498405 | 0.79 | ALDH1A1 (0.43) | ALDH1A1LMNA | |
| SCHEMBL31174202 | 0.78 | ALDH1A1 (0.41) | ALDH1A1LMNACES2CES1FFAR3 | |
| Phosphoric Acid SCHEMBL28662345 | 0.77 | ALDH1A1 (0.50) | ALDH1A1LMNACES2CES1FFAR3 |
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 |
|---|---|---|---|---|---|---|---|
| US-20170260548-A1 | METHOD FOR PRODUCING ISOBUTENE FROM 3-METHYLCROTONYL-COA | Scientist of Fortune, S.A. (LU) | 2017-09-14 | — | — | US | claimed |