Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | TP53BP1 | Q12888 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL19282739 | 0.82 | NPC1 (0.51) | LMNANPC1ALDH1A1RAB9AMEN1 | |
| SCHEMBL4533433 | 0.79 | RXFP1 (0.60) | RXFP1LMNANPC1ALDH1A1RAB9A | |
| SCHEMBL28209958 | 0.78 | RXFP1 (0.48) | RXFP1LMNANPC1ALDH1A1MEN1 | |
| SCHEMBL28301105 | 0.78 | RXFP1 (0.59) | RXFP1LMNANPC1ALDH1A1RAB9A | |
| SCHEMBL27574865 | 0.77 | GLA (0.53) | LMNANPC1ALDH1A1HTTRAB9A | |
| SCHEMBL27906124 | 0.77 | ALDH1A1 (0.46) | LMNANPC1ALDH1A1HTTRAB9A | |
| SCHEMBL27859352 | 0.76 | NPC1 (0.48) | LMNANPC1MEN1KMT2AKDM4E | |
| SCHEMBL8335580 | 0.76 | NPC1 (0.58) | RXFP1LMNANPC1ALDH1A1RAB9A | |
| SCHEMBL3991159 | 0.76 | RXFP1 (0.56) | RXFP1LMNANPC1ALDH1A1RAB9A | |
| SCHEMBL29818182 | 0.76 | ALDH1A1 (0.70) | LMNANPC1ALDH1A1HTTRAB9A |
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-109689661-A | Macrocyclic inhibitors of myeloperoxidase | 百时美施贵宝公司 | 2019-04-26 | — | — | CN | disclosed |