Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 8/20 | 0.50 |
| ▸ | RAB9A | P51151 | 8/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8765128 | 0.85 | SMN1; SMN2 (0.67) | CYP1A2CYP2C9CYP2C19NPC1RAB9A | |
| SCHEMBL28299531 | 0.84 | CYP1A2 (0.52) | CYP1A2CYP2C9CYP2C19NPC1RAB9A | |
| SCHEMBL28299741 | 0.82 | RAB9A (0.54) | CYP1A2CYP2C9CYP2C19NPC1RAB9A | |
| SCHEMBL28299678 | 0.81 | CYP1A2 (0.49) | CYP1A2CYP2C9CYP2C19NPC1RAB9A | |
| SCHEMBL28299559 | 0.81 | SMN1; SMN2 (0.52) | CYP1A2CYP2C9CYP2C19NPC1RAB9A | |
| SCHEMBL31500066 | 0.79 | SMN1; SMN2 (0.59) | CYP1A2CYP2C9CYP2C19NPC1RAB9A | |
| SCHEMBL21208570 | 0.78 | SMN1; SMN2 (0.51) | NPC1RAB9ASMN1; SMN2MAPTKMT2A | |
| SCHEMBL5213849 | 0.77 | MEN1 (0.43) | CYP1A2CYP2C9CYP2C19NPC1RAB9A | |
| SCHEMBL14495717 | 0.77 | CYP2C19 (0.64) | CYP1A2CYP2C9CYP2C19NPC1RAB9A | |
| SCHEMBL31500050 | 0.77 | SMN1; SMN2 (0.56) | CYP1A2CYP2C9CYP2C19NPC1RAB9A |
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-109890822-A | INHIBITORS OF CELLULAR METABOLIC PROCESSES | 安吉奥斯医药品有限公司 | 2019-06-14 | — | — | CN | disclosed |