Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.59 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL205041 | 1.00 | TSHR (0.59) | TSHRMAPK1ESR1ESR2CYP3A4 | |
| SCHEMBL29492482 | 0.96 | TSHR (0.63) | TSHRMAPK1ESR1ESR2CYP3A4 | |
| SCHEMBL201709 | 0.96 | TSHR (0.63) | TSHRMAPK1ESR1ESR2CYP3A4 | |
| SCHEMBL202407 | 0.92 | TSHR (0.47) | TSHRMAPK1ESR1ESR2CYP3A4 | |
| SCHEMBL10493904 | 0.92 | TSHR (0.68) | TSHRMAPK1ESR1ESR2CYP3A4 | |
| SCHEMBL126398 | 0.92 | TSHR (0.68) | TSHRMAPK1ESR1ESR2CYP3A4 | |
| SCHEMBL29373758 | 0.92 | TSHR (0.68) | TSHRMAPK1ESR1ESR2CYP3A4 | |
| SCHEMBL29799449 | 0.92 | TSHR (0.68) | TSHRMAPK1ESR1ESR2CYP3A4 | |
| SCHEMBL8582903 | 0.90 | TSHR (0.61) | TSHRMAPK1ESR1ESR2CYP3A4 | |
| SCHEMBL9350813 | 0.90 | ALDH1A1 (0.49) | TSHRMAPK1CYP3A4MAOBGAA |
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-6458912-B1 | 1,3-BIS(4-AMINOPHENOXY)BENZENE REPRESENTED BY THE CHEMICAL FORMULA (3) FOR PRODUCTION OF THE ABOVE POLYIMIDE, CHARACTERIZED IN THAT THE CONTENT OF AN AZO COMPOUND IS FROM 0.0 TO 0.2%. THE THERMOPLASTIC POLYIMIDE OF THE PRESENT | MITSUI CHEMICALS, INC. (JP) | 2002-10-01 | — | — | US | disclosed |