Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 4/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 3/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL478331 | 1.00 | NPC1 (0.36) | NPC1RAB9AMAP3K14CHRNB2CHRNA4 | |
| SCHEMBL31725748 | 0.85 | MAP3K14 (0.39) | NPC1RAB9AMAP3K14CHRNB2CHRNA4 | |
| SCHEMBL7583374 | 0.80 | TP53 (0.41) | NPC1RAB9AMAP3K14CHRNB2CHRNA4 | |
| SCHEMBL25812020 | 0.78 | CHRNB2 (0.35) | MAP3K14CHRNB2CHRNA4TSHRMAPK1 | |
| SCHEMBL8359750 | 0.77 | TSHR (0.45) | NPC1RAB9ATSHRMAPK1NOS3 | |
| SCHEMBL2422640 | 0.77 | HSD17B10 (0.43) | NPC1RAB9AMAP3K14TSHRMAPK1 | |
| SCHEMBL30228097 | 0.77 | KDM1A (0.35) | CHRNB2CHRNA4TSHRGAAKDM4E | |
| SCHEMBL1875659 | 0.77 | KDM1A (0.35) | CHRNB2CHRNA4TSHRGAAKDM4E | |
| SCHEMBL30739381 | 0.77 | CHRNB2 (0.34) | CHRNB2CHRNA4MAPK1GAAKDM4E | |
| SCHEMBL25591825 | 0.77 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118159537-A | 6-Aza-quinoline derivatives and related uses | 黑钻治疗公司 | 2024-06-07 | — | — | CN | disclosed |
| CN-116514816-A | Pyrimidinone pyrrole derivative and preparation method and medical application thereof | 深圳信立泰药业股份有限公司 | 2023-08-01 | — | — | CN | disclosed |