Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 11/20 | 0.39 |
| ▸ | RAB9A | P51151 | 11/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | HPGDS | O60760 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | FLT3 | P36888 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3303329 | 0.83 | ADORA1 (0.58) | ADORA1NPC1RAB9AMAPTGAA | |
| SCHEMBL1817276 | 0.80 | RAB9A (0.63) | ADORA1NPC1RAB9AMAPTGAA | |
| SCHEMBL28945558 | 0.76 | ADORA1 (0.76) | ADORA1MAPTGAAALDH1A1HPGD | |
| SCHEMBL27826568 | 0.74 | ADORA1 (0.65) | ADORA1MAPTGAAALDH1A1KMT2A | |
| SCHEMBL27845410 | 0.69 | NPC1 (0.35) | NPC1RAB9AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL27845418 | 0.64 | POLB (0.52) | ALDH1A1LOXL2 | |
| SCHEMBL27996852 | 0.62 | TGFBR1 (0.49) | NPC1RAB9AMAPTALDH1A1KMT2A | |
| SCHEMBL3305577 | 0.61 | ADORA1 (0.58) | ADORA1NPC1RAB9AMAPTALDH1A1 | |
| SCHEMBL19924483 | 0.61 | NPC1 (0.63) | NPC1RAB9AMAPTGAAHPGDS | |
| SCHEMBL30607673 | 0.61 | PDE10A (0.39) | MAPTALDH1A1LOXL2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102197031-A | Substituted 5-aminopyrazoles and use thereof | BAYER SCHERING PHARMA AG | 2011-09-21 | — | — | CN | disclosed |