Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NAAA | Q02083 | 2/20 | 0.31 |
| ▸ | CCR2 | P41597 | 2/20 | 0.30 |
| ▸ | CCR1 | P32246 | 1/20 | 0.30 |
| ▸ | CCR5 | P51681 | 1/20 | 0.30 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11362838 | 0.90 | ALDH1A1 (0.31) | ALDH1A1TDP1EPHX1 | |
| SCHEMBL11357390 | 0.84 | — | — | |
| SCHEMBL19687861 | 0.84 | ALDH1A1 (0.35) | ALDH1A1TDP1EPHX1CNR1CYP1A2 | |
| SCHEMBL11587468 | 0.82 | — | — | |
| SCHEMBL21025725 | 0.82 | CYP1A2 (0.34) | ALDH1A1TDP1EPHX1CYP1A2MEN1 | |
| SCHEMBL9628851 | 0.81 | ALDH1A1 (0.33) | ALDH1A1TDP1EPHX1CNR1CYP1A2 | |
| SCHEMBL11589018 | 0.78 | — | — | |
| SCHEMBL11775421 | 0.78 | ALDH1A1 (0.31) | ALDH1A1TDP1EPHX1 | |
| SCHEMBL15686649 | 0.75 | MEN1 (0.50) | ALDH1A1TDP1EPHX1CYP1A2MEN1 | |
| SCHEMBL3230862 | 0.75 | MEN1 (0.50) | ALDH1A1TDP1EPHX1CYP1A2MEN1 |
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-20210048439-A1 | CAGED AMINO ACIDS FOR CONTROLLED METABOLIC INCORPORATION AND METHODS OF USE | UNIVERSITY OF WASHINGTON (US) | 2021-02-18 | — | — | US | disclosed |