Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 4/20 | 0.56 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.48 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.48 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | XBP1 | P17861 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5752927 | 0.86 | MRGPRX4 (0.53) | MRGPRX4CYSLTR1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL2714234 | 0.84 | MAOB (0.66) | SMN1; SMN2MAOBMAPTHTT | |
| SCHEMBL10068542 | 0.84 | NOTUM (0.49) | MRGPRX4SMN1; SMN2NPC1RAB9APOLB | |
| SCHEMBL30281213 | 0.83 | NR4A2 (0.63) | MRGPRX4NPC1RAB9AL3MBTL1 | |
| SCHEMBL2946154 | 0.83 | NR4A2 (0.63) | MRGPRX4NPC1RAB9AL3MBTL1 | |
| SCHEMBL27439509 | 0.83 | MRGPRX4 (0.59) | MRGPRX4CYSLTR1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL5153039 | 0.82 | MRGPRX4 (0.50) | MRGPRX4CYSLTR1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL27931854 | 0.82 | MAOB (0.49) | MRGPRX4SMN1; SMN2NPC1RAB9AMAOB | |
| SCHEMBL15036779 | 0.81 | PARP1 (0.56) | MRGPRX4SMN1; SMN2MAOBCYP1A2CYP2C9 | |
| SCHEMBL16957782 | 0.81 | MAOB (0.50) | MRGPRX4MAOBCYP1A2CYP2C9MAPT |
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-105555766-A | Aminomethyl-biaryl derivatives as complement factor D inhibitors and uses thereof | NOVARTIS AG | 2016-05-04 | — | — | CN | disclosed |