Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | ACLY | P53396 | 3/20 | 0.39 |
| ▸ | CPT2 | P23786 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HMGCR | P04035 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.31 |
| ▸ | TET2 | Q6N021 | 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 | |
|---|---|---|---|---|
| SCHEMBL22400739 | 0.90 | CYP2D6 (0.37) | CYP2D6TSHRCYP2C19HIF1AACLY | |
| SCHEMBL537136 | 0.84 | CYP2D6 (0.42) | CYP2D6TSHRCYP2C19HIF1AACLY | |
| SCHEMBL28796367 | 0.82 | TSHR (0.41) | CYP2D6TSHRCYP2C19HIF1AACLY | |
| SCHEMBL14672450 | 0.78 | TSHR (0.38) | CYP2D6TSHRCYP2C19HIF1AACLY | |
| Succinic Acid SCHEMBL28849007 | 0.78 | CYP2D6 (0.38) | CYP2D6TSHRCYP2C19HIF1AACLY | |
| SCHEMBL3503960 | 0.77 | ACLY (0.39) | CYP2D6TSHRCYP2C19HIF1AACLY | |
| SCHEMBL3740917 | 0.76 | CYP2D6 (0.39) | CYP2D6TSHRCYP2C19HIF1AACLY | |
| SCHEMBL18283301 | 0.76 | ALDH1A1 (0.58) | CYP2D6TSHRCYP2C19HIF1AACLY | |
| SCHEMBL10987543 | 0.75 | CYP2D6 (0.35) | CYP2D6TSHRCYP2C19HIF1AACLY | |
| SCHEMBL16230507 | 0.74 | CPT2 (0.48) | CYP2D6TSHRCYP2C19HIF1AACLY |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6130346-A | ESTERIFICATION, CARBONATION, SULFONATION, ETHERIFICATION | MITSUI CHEMICALS, INC. (JP) | 2000-10-10 | — | — | US | disclosed |
| US-4686249-A | Heat-hardenable binder mixture of amino resin and hydroxy epoxides | BASF FARBEN + FASERN AG (DE) | 1987-08-11 | — | — | US | disclosed |
| EP-0057389-B1 | HEAT-HARDENABLE MIXTURE OF BINDERS | BASF Lacke + Farben AG (DE) | 1984-06-06 | — | — | EP | disclosed |
| EP-0057389-A1 | Heat-hardenable mixture of binders | BASF Lacke + Farben AG (DE) | 1982-08-11 | — | — | EP | disclosed |