Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 6/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.41 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | DGKA | P23743 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL2136672 | 0.92 | ALDH1A1 (0.56) | ALDH1A1ATMCYP3A4TSHRTDP1 | |
| Bicarbonate SCHEMBL1538407 | 0.88 | ALDH1A1 (0.52) | ALDH1A1ATMCYP3A4TSHRTDP1 | |
| Ethaneperoxoic Acid SCHEMBL27422922 | 0.87 | ALDH1A1 (0.58) | ALDH1A1ATMCYP3A4TSHRTDP1 | |
| SCHEMBL19896505 | 0.85 | CES2 (0.54) | ALDH1A1ATMCYP3A4TSHRTDP1 | |
| SCHEMBL124126 | 0.84 | ADRB2 (0.53) | ALDH1A1ATMCYP3A4TSHRTDP1 | |
| Acetone SCHEMBL3221832 | 0.82 | TSHR (0.62) | ALDH1A1ATMCYP3A4TSHRCES2 | |
| Alcohol SCHEMBL8531163 | 0.81 | TSHR (0.52) | ALDH1A1ATMCYP3A4TSHRTDP1 | |
| SCHEMBL1538408 | 0.81 | ALDH1A1 (0.46) | ALDH1A1ATMTSHRTDP1L3MBTL1 | |
| SCHEMBL22228 | 0.81 | — | — | |
| SCHEMBL789967 | 0.81 | ADRB2 (0.50) | ALDH1A1ATMCYP3A4TSHRTDP1 |
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-5939592-A | CATALYTIC DEESTERIFICATION WITH RHODIUM, PLATINUM, AND PALLADIUM; DEHYDRATION; TERT-BUTYL METHYL ETHER PRODUCTION FROM TERT-BUTYL ALCOHOL AND ETHANOL; ETHERIFICATION | HUNTSMAN SPECIALTY CHEMICALS CORP. (US) | 1999-08-17 | — | — | US | disclosed |