Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | F2 | P00734 | 2/20 | 0.45 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.45 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.45 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.45 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Phthalic Acid SCHEMBL28727341 | 0.90 | SMN1; SMN2 (0.73) | TSHRSMN1; SMN2ALDH1A1ALOX15CA1 | |
| Phthalic Acid SCHEMBL9140228 | 0.88 | SMN1; SMN2 (0.70) | TSHRSMN1; SMN2ALDH1A1ALOX15CA1 | |
| SCHEMBL27725321 | 0.85 | ALDH1A1 (0.56) | TSHRSMN1; SMN2ALDH1A1ALOX15F2 | |
| Benzene SCHEMBL27461159 | 0.84 | ALDH1A1 (0.74) | TSHRSMN1; SMN2ALDH1A1ALOX15BCAT2 | |
| SCHEMBL31390276 | 0.84 | ALDH1A1 (0.74) | TSHRSMN1; SMN2ALDH1A1ALOX15BCAT2 | |
| SCHEMBL8771 | 0.84 | ALDH1A1 (0.74) | TSHRSMN1; SMN2ALDH1A1ALOX15BCAT2 | |
| Benzene SCHEMBL28074245 | 0.84 | ALDH1A1 (0.74) | TSHRSMN1; SMN2ALDH1A1ALOX15BCAT2 | |
| SCHEMBL7477977 | 0.84 | ALDH1A1 (0.74) | TSHRSMN1; SMN2ALDH1A1ALOX15BCAT2 | |
| Ammonia Solution, Strong SCHEMBL4887275 | 0.82 | ALDH1A1 (0.70) | TSHRSMN1; SMN2ALDH1A1ALOX15BCAT2 | |
| Carbamic Acid SCHEMBL28801958 | 0.82 | TSHR (0.80) | TSHRSMN1; SMN2ALDH1A1CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101186678-B | Acid-degradable resin compositions containing ketene-aldehyde copolymer | NIPPON SODA CO | 2012-05-23 | — | — | CN | disclosed |
| CN-101186678-A | Acid-degradable resin compositions containing ketene-aldehyde copolymer | NIPPON SODA CO (JP) | 2008-05-28 | — | — | CN | disclosed |