Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 7/20 | 0.66 |
| ▸ | RAB9A | P51151 | 5/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 4/20 | 0.46 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.46 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.46 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.46 |
| ▸ | LTK | P29376 | 2/20 | 0.46 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.46 |
| ▸ | LIMK1 | P53667 | 2/20 | 0.46 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.46 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6684283 | 1.00 | ABCG2 (0.66) | ABCG2RAB9ANPC1SMN1; SMN2MAPT | |
| SCHEMBL6662860 | 0.81 | ABCG2 (1.00) | ABCG2RAB9ANPC1SMN1; SMN2MAPT | |
| SCHEMBL6684273 | 0.71 | ABCG2 (0.67) | ABCG2RAB9ANPC1SMN1; SMN2MAPT | |
| SCHEMBL6684278 | 0.70 | ABCG2 (0.62) | ABCG2RAB9ANPC1SMN1; SMN2MAPT | |
| Hydrochloric Acid SCHEMBL8808008 | 0.68 | EGFR (0.68) | ABCG2RAB9ANPC1SMN1; SMN2MAPT | |
| Hydrochloric Acid SCHEMBL8810621 | 0.68 | ABCG2 (0.72) | ABCG2RAB9ANPC1SMN1; SMN2MAPT | |
| Hydrochloric Acid SCHEMBL9017046 | 0.67 | ABCG2 (0.97) | ABCG2RAB9ANPC1SMN1; SMN2HTT | |
| SCHEMBL28018331 | 0.67 | NPC1 (0.65) | ABCG2RAB9ANPC1SMN1; SMN2MAPT | |
| SCHEMBL28181386 | 0.67 | NPC1 (0.65) | ABCG2RAB9ANPC1SMN1; SMN2MAPT | |
| SCHEMBL29941271 | 0.67 | EGFR (1.00) | ABCG2RAB9ANPC1SMN1; SMN2HTT |
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-2004069145-A2 | ANTICANCER COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DR. REDDY'S LABORATORIES LTD. (IN) | 2004-08-19 | — | — | WO | claimed |