Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MIF | P14174 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | VSIR | Q9H7M9 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CHKA | P35790 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.39 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.39 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.39 |
| ▸ | PRMT8 | Q9NR22 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11046745 | 0.76 | TP53 (0.44) | ALDH1A1TSHRAOC3TAAR1NOS2 | |
| SCHEMBL1793162 | 0.73 | G6PC1 (0.50) | ALDH1A1TSHRAOC3NOS2TRPA1 | |
| SCHEMBL1653 | 0.72 | ALDH1A1 (0.55) | ALDH1A1TSHRTAAR1NOS2TRPA1 | |
| SCHEMBL2270 | 0.70 | — | — | |
| SCHEMBL1506483 | 0.70 | — | — | |
| SCHEMBL17761948 | 0.70 | ALDH1A1 (0.43) | ALDH1A1TSHRAOC3TAAR1NOS2 | |
| SCHEMBL7265536 | 0.70 | ALDH1A1 (0.43) | ALDH1A1TSHRAOC3TAAR1NOS2 | |
| SCHEMBL7265542 | 0.70 | ALDH1A1 (0.43) | ALDH1A1TSHRAOC3TAAR1NOS2 | |
| SCHEMBL10371085 | 0.70 | GRIN2B (0.53) | ALDH1A1TSHRAOC3TAAR1NOS2 | |
| SCHEMBL17178869 | 0.69 | ALDH1A1 (0.52) | ALDH1A1TSHRTAAR1NOS2TRPA1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1155001-A4 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | LION BIOSCIENCE AG (DE) | 2003-05-28 | — | — | EP | claimed |
| EP-1155001-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 2001-11-21 | — | — | EP | claimed |
| WO-2000050406-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | LION BIOSCIENCE AG (DE) | 2000-08-31 | — | — | WO | claimed |
| US-4477664-A | CARCINOSTATIC ACTIVITY, LOW TOXICITY, INTERMEDIATES | TOYAMA CHEMICAL CO., LTD. (JP) | 1984-10-16 | — | — | US | disclosed |
| US-4477666-A | ANTICARCINO GENIC AGENTS | TOYAMA CHEMICAL CO., LTD. (JP) | 1984-10-16 | — | — | US | disclosed |
| US-4460774-A | ANTICARCINOGENIC AGENTS | TOYAMA CHEMICAL COMPANY, LIMITED (JP) | 1984-07-17 | — | — | US | disclosed |
| US-4459407-A | ANTICARCINOGENIC | TOYAMA CHEMICAL CO., LTD. (JP) | 1984-07-10 | — | — | US | disclosed |
| US-4448963-A | ANTICARCINOGENS | TOYAMA CHEMICAL CO., LTD. (JP) | 1984-05-15 | — | — | US | disclosed |
| US-4436921-A | CARCINOSTATIC ACTIVITY | TOYAMA CHEMICAL CO., LTD. (JP) | 1984-03-13 | — | — | US | disclosed |