Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | ACACB | O00763 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 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 | |
|---|---|---|---|---|
| SCHEMBL6805221 | 0.89 | ACACB (0.48) | ALDH1A1ACACBLMNASMN1; SMN2CNR1 | |
| SCHEMBL6677355 | 0.87 | ACACB (0.45) | ALDH1A1ACACBPOLBNPC1CYP2C9 | |
| SCHEMBL6677349 | 0.87 | ACACB (0.45) | ALDH1A1ACACBPOLBNPC1CYP2C9 | |
| SCHEMBL6683466 | 0.85 | CNR1 (0.46) | ACACBCYP2C9CNR1MCL1MMP2 | |
| SCHEMBL6804168 | 0.84 | ACACB (0.47) | ALDH1A1ACACBLMNASMN1; SMN2 | |
| SCHEMBL6677982 | 0.84 | ESR1 (0.40) | ACACBL3MBTL1 | |
| SCHEMBL6677082 | 0.83 | ACACB (0.50) | ACACBNPC1RAB9AADRB3ADRB1 | |
| SCHEMBL6676771 | 0.83 | ADRB1 (0.43) | ALDH1A1ACACBPOLBNPC1CYP2C9 | |
| SCHEMBL6676768 | 0.83 | ADRB1 (0.43) | ALDH1A1ACACBPOLBNPC1CYP2C9 | |
| SCHEMBL6682568 | 0.82 | AKR1C3 (0.52) | ALDH1A1POLBNPC1CYP2C9RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004045610-A1 | AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD (JP) | 2004-06-03 | — | — | WO | disclosed |