Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.45 |
| ▸ | MEN1 | O00255 | 6/20 | 0.45 |
| ▸ | GLS | O94925 | 5/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.40 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24846098 | 1.00 | NPC1 (0.47) | NPC1RAB9AKMT2AMEN1GLS | |
| SCHEMBL29837159 | 1.00 | NPC1 (0.47) | NPC1RAB9AKMT2AMEN1GLS | |
| SCHEMBL24846592 | 0.84 | KMT2A (0.45) | NPC1RAB9AKMT2AMEN1GLS | |
| SCHEMBL24846073 | 0.83 | RAB9A (0.41) | NPC1RAB9AKMT2AMEN1GLS | |
| SCHEMBL24846114 | 0.82 | KMT2A (0.48) | NPC1RAB9AKMT2AMEN1GLS | |
| SCHEMBL24846549 | 0.82 | RAB9A (0.60) | NPC1RAB9AKMT2AMEN1GLS | |
| SCHEMBL24846054 | 0.81 | KMT2A (0.43) | KMT2AMEN1SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL24846095 | 0.80 | DGAT1 (0.42) | KMT2AMEN1GLSKDM4EALDH1A1 | |
| SCHEMBL24846115 | 0.79 | GLS (0.49) | NPC1RAB9AKMT2AMEN1GLS | |
| SCHEMBL24846717 | 0.79 | CFTR (0.45) | NPC1RAB9AKMT2AMEN1GLS |
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-114728919-A | MrgprX2 antagonists and uses thereof | 德米拉公司 | 2022-07-08 | — | — | CN | disclosed |