Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CCR6 | P51684 | 1/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | CETP | P11597 | 3/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27509628 | 0.90 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL17764211 | 0.86 | ALDH1A1 (0.46) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL9099866 | 0.83 | ALDH1A1 (0.53) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL14476880 | 0.81 | CCR6 (0.63) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL1254822 | 0.79 | ALDH1A1 (0.49) | ALDH1A1MAPK1TDP1L3MBTL1CA12 | |
| SCHEMBL18057682 | 0.78 | CCR6 (0.60) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL25628629 | 0.78 | CCR6 (0.64) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL9942494 | 0.78 | CCR6 (0.57) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL27343331 | 0.77 | CCR6 (0.56) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL9870771 | 0.77 | MAPT (0.48) | ALDH1A1CYP3A4GAAHPGDLMNA |
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-0135714-B1 | SUSTAINED RELEASE COMPOSITIONS FOR BIOLOGICALLY ACTIVE MATERIALS | MELAMINE CHEMICALS, INC. (US) | 1991-11-06 | — | — | EP | disclosed |
| US-3930838-A | S-BENZYL-N,N-DISEC-BUTYLTHIOCARBAMATE AND ITS USE AS A RICE FIELD HERBICIDE AND A RICE GROWTH STIMULANT | MONTECATINI EDISON S.P.A. (IT) | 1976-01-06 | — | — | US | disclosed |