Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 5/20 | 0.62 |
| ▸ | RAB9A | P51151 | 1/20 | 0.62 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.50 |
| ▸ | AKT1 | P31749 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.45 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.45 |
| ▸ | CRHBP | P24387 | 1/20 | 0.45 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL4716214 | 0.93 | GBA1 (0.54) | GBA1RAB9AENPP1AKT1TSHR | |
| Trifluoroacetic Acid SCHEMBL4711676 | 0.84 | AKT1 (0.51) | GBA1RAB9AENPP1AKT1TSHR | |
| SCHEMBL3848425 | 0.83 | ENPP1 (0.52) | ENPP1AKT1TSHRLRRK2LMNA | |
| SCHEMBL3850109 | 0.81 | CYP3A4 (0.65) | AKT1TSHRLMNACYP1A2CYP3A4 | |
| SCHEMBL4760756 | 0.80 | AKT1 (0.49) | ENPP1AKT1TSHRLMNACYP1A2 | |
| Trifluoroacetic Acid SCHEMBL3855290 | 0.79 | AKT1 (0.54) | AKT1TSHRLMNACYP1A2CYP3A4 | |
| SCHEMBL4716295 | 0.79 | CYP1A2 (0.50) | ENPP1AKT1TSHRLMNACYP1A2 | |
| SCHEMBL3849267 | 0.79 | AKT1 (0.49) | ENPP1AKT1TSHRLRRK2LMNA | |
| SCHEMBL4714577 | 0.79 | CYP1A2 (0.51) | RAB9AAKT1TSHRLMNACYP1A2 | |
| Hydrochloric Acid SCHEMBL3850590 | 0.78 | AKT1 (0.49) | ENPP1AKT1LRRK2LMNACYP1A2 |
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-2048142-A2 | Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof | Eisai R&D Management Co., Ltd. (JP) | 2009-04-15 | — | — | EP | disclosed |