Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.44 |
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30203084 | 1.00 | NPC1 (0.46) | NPC1RAB9ASMN1; SMN2LMNANFKB1 | |
| SCHEMBL23368165 | 0.88 | RAB9A (0.47) | NPC1RAB9ASMN1; SMN2LMNANPSR1 | |
| SCHEMBL21612816 | 0.85 | NPC1 (0.49) | NPC1RAB9ASMN1; SMN2LMNANPSR1 | |
| SCHEMBL23355361 | 0.85 | NPC1 (0.49) | NPC1RAB9ASMN1; SMN2CYP2C9CYP17A1 | |
| SCHEMBL23355337 | 0.84 | SMN1; SMN2 (0.47) | NPC1RAB9ASMN1; SMN2LMNANFKB1 | |
| SCHEMBL64834 | 0.83 | AAK1 (0.53) | NPC1RAB9ASMN1; SMN2LMNANFKB1 | |
| SCHEMBL30203283 | 0.83 | KCNQ4 (0.43) | NPC1RAB9ASMN1; SMN2NPSR1CYP17A1 | |
| SCHEMBL23368045 | 0.83 | KCNQ4 (0.43) | NPC1RAB9ASMN1; SMN2NPSR1CYP17A1 | |
| SCHEMBL23355301 | 0.82 | NPC1 (0.48) | NPC1RAB9ASMN1; SMN2LMNANFKB1 | |
| SCHEMBL23368134 | 0.82 | RAB9A (0.48) | NPC1RAB9ASMN1; SMN2LMNANFKB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3822263-A1 | BIARYL ETHER-TYPE QUINAZOLINE DERIVATIVE | Daiichi Sankyo Company, Limited (JP) | 2021-05-19 | — | — | EP | disclosed |