Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.61 |
| ▸ | CA1 | P00915 | 1/20 | 0.61 |
| ▸ | CA2 | P00918 | 1/20 | 0.61 |
| ▸ | CA4 | P22748 | 1/20 | 0.61 |
| ▸ | CA6 | P23280 | 1/20 | 0.61 |
| ▸ | CA7 | P43166 | 1/20 | 0.61 |
| ▸ | TPMT | P51580 | 1/20 | 0.61 |
| ▸ | CA9 | Q16790 | 1/20 | 0.61 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 3/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | PDE4A | P27815 | 3/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5962285 | 0.83 | CA12 (0.65) | CA12CA1CA2CA4CA6 | |
| SCHEMBL141595 | 0.81 | CA12 (0.62) | CA12CA1CA2CA4CA6 | |
| SCHEMBL7221821 | 0.81 | CA12 (0.62) | CA12CA1CA2CA4CA6 | |
| SCHEMBL141594 | 0.81 | CA12 (0.62) | CA12CA1CA2CA4CA6 | |
| SCHEMBL141596 | 0.81 | CA12 (0.62) | CA12CA1CA2CA4CA6 | |
| SCHEMBL9367554 | 0.81 | CA12 (0.62) | CA12CA1CA2CA4CA6 | |
| Hydrochloric Acid SCHEMBL6782887 | 0.80 | CA12 (0.61) | CA12CA1CA2CA4CA6 | |
| SCHEMBL28683588 | 0.80 | CA12 (0.61) | CA12CA1CA2CA4CA6 | |
| SCHEMBL6449149 | 0.80 | CA12 (0.56) | CA12CA1CA2CA4CA6 | |
| SCHEMBL10585156 | 0.79 | CA12 (0.59) | CA12CA1CA2CA4CA6 |
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-2003101967-A1 | PREPARATION OF CHIRAL 1,2,3,4-TETRAHYDRO-6,7-DIALKOXY-3-ISOQUINOLINECARBOXYLIC ACID AND DERIVATIVES BY REACTING LEVODOPA WITH FORMALDEHYDE OR FORMALDEHYDE PRECURSORS | APTEX PHARMACHEM INC. (CA) | 2003-12-11 | — | — | WO | disclosed |