Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | PPARG | P37231 | 1/20 | 0.54 |
| ▸ | PPARA | Q07869 | 1/20 | 0.54 |
| ▸ | GGPS1 | O95749 | 2/20 | 0.53 |
| ▸ | DHFR | P00374 | 7/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
| ▸ | CNR1 | P21554 | 1/20 | 0.51 |
| ▸ | CNR2 | P34972 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL9583212 | 0.98 | TSHR (0.62) | TAAR1TSHRCYP2D6PPARGPPARA | |
| SCHEMBL17402422 | 0.98 | TSHR (0.62) | TAAR1TSHRCYP2D6PPARGPPARA | |
| Hydrochloric Acid SCHEMBL28001157 | 0.97 | TSHR (0.60) | TAAR1TSHRCYP2D6PPARGPPARA | |
| SCHEMBL2911039 | 0.95 | TAAR1 (0.62) | TAAR1TSHRCYP2D6PPARGPPARA | |
| Hydrochloric Acid SCHEMBL3020991 | 0.94 | TAAR1 (0.60) | TAAR1TSHRCYP2D6PPARGPPARA | |
| SCHEMBL2206741 | 0.92 | TSHR (0.58) | TSHRCYP2D6PPARGPPARAGGPS1 | |
| SCHEMBL1047449 | 0.90 | TAAR1 (0.64) | TAAR1TSHRCYP2D6DHFR | |
| SCHEMBL4568871 | 0.88 | PPARA (0.61) | TSHRCYP2D6PPARGPPARAGGPS1 | |
| SCHEMBL3964532 | 0.88 | TSHR (0.60) | TSHRCYP2D6PPARGPPARAGGPS1 | |
| SCHEMBL9079652 | 0.88 | PPARA (0.62) | TSHRCYP2D6PPARGPPARAGGPS1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001055117-A1 | NOVEL ISOQUINOLINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | LES LABORATOIRES SERVIER (FR) | 2001-08-02 | — | — | WO | disclosed |