Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | GABRP | O00591 | 2/20 | 0.44 |
| ▸ | GABRD | O14764 | 2/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.44 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.44 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.44 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.44 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.44 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.44 |
| ▸ | GABRE | P78334 | 2/20 | 0.44 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.44 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.44 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.44 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL105422 | 0.87 | — | — | |
| SCHEMBL29549225 | 0.87 | — | — | |
| Bromide SCHEMBL27819502 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL6901300 | 0.84 | — | — | |
| Formic Acid Methyl Ester SCHEMBL29112455 | 0.82 | NOS3 (0.41) | HDAC1HDAC6KDM4EGABRPGABRD | |
| Acetic Acid SCHEMBL28106685 | 0.82 | KDM4E (0.52) | HDAC1HDAC6KDM4EGABRPGABRD | |
| Cyanide SCHEMBL28309094 | 0.80 | NOS3 (0.44) | HDAC1HDAC6KDM4EGABRPGABRD | |
| Bicarbonate SCHEMBL28251568 | 0.80 | KDM4E (0.50) | HDAC1HDAC6KDM4EGABRPGABRD | |
| Alcohol SCHEMBL28867069 | 0.79 | GBA1 (0.46) | HDAC1HDAC6KDM4EGABRPGABRD | |
| Methylene Chloride SCHEMBL27519891 | 0.78 | NOS3 (0.43) | HDAC1HDAC6KDM4EGABRPGABRD |
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-103987711-A | 8-carbamoyl-2- (2, 3-disubstituted pyridin-6-yl) -1,2,3, 4-tetrahydroisoquinoline derivatives as apoptosis inducers for the treatment of cancer and immune and autoimmune diseases | ABBVIE INC | 2014-08-13 | — | — | CN | disclosed |
| CN-103958508-A | Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases | ABBVIE INC | 2014-07-30 | — | — | CN | disclosed |