Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 8/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | KDM4A | O75164 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4000261 | 0.88 | ADORA3 (0.38) | ADORA3ALDH1A1POLBNPC1RAB9A | |
| SCHEMBL4008102 | 0.79 | PDE1B (0.39) | ADORA3ALDH1A1RAB9APDE1BADORA1 | |
| SCHEMBL4051944 | 0.79 | PDE1B (0.39) | ADORA3ALDH1A1RAB9APDE1BADORA1 | |
| Hydrochloric Acid SCHEMBL4052464 | 0.76 | KIF11 (0.60) | — | |
| Hydrochloric Acid SCHEMBL4052459 | 0.76 | KIF11 (0.60) | — | |
| Hydrochloric Acid SCHEMBL4048546 | 0.75 | KIF11 (0.63) | — | |
| Hydrochloric Acid SCHEMBL4051314 | 0.75 | KIF11 (0.55) | — | |
| Hydrochloric Acid SCHEMBL4051312 | 0.75 | KIF11 (0.55) | — | |
| Hydrochloric Acid SCHEMBL4050650 | 0.75 | KIF11 (0.63) | — | |
| SCHEMBL4049089 | 0.75 | KIF11 (0.39) | ADORA3PDE1B |
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 |
|---|---|---|---|---|---|---|---|
| EP-2070932-A1 | Pyrazolotriazines | 4SC AG (DE) | 2009-06-17 | — | — | EP | disclosed |