Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.45 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | CRHBP | P24387 | 1/20 | 0.43 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14902486 | 0.90 | NPC1 (0.51) | NPC1ALDH1A1NPFFR1NPFFR2GAA | |
| SCHEMBL14902487 | 0.87 | ALDH1A1 (0.60) | NPC1ALDH1A1OPRD1SIGMAR1MEN1 | |
| SCHEMBL14905956 | 0.86 | NPC1 (0.54) | NPC1ALDH1A1OPRM1OPRD1TDP1 | |
| SCHEMBL14902500 | 0.84 | NPC1 (0.58) | NPC1ALDH1A1OPRM1TDP1SIGMAR1 | |
| SCHEMBL14902503 | 0.84 | OPRD1 (0.49) | NPC1ALDH1A1NPFFR1NPFFR2OPRD1 | |
| SCHEMBL14902534 | 0.83 | NPC1 (0.51) | NPC1ALDH1A1NPFFR1NPFFR2TDP1 | |
| SCHEMBL14902532 | 0.83 | NPC1 (0.51) | NPC1ALDH1A1OPRM1TDP1SIGMAR1 | |
| SCHEMBL14902509 | 0.83 | NAMPT (0.53) | NPC1ALDH1A1NPFFR1NPFFR2LMNA | |
| SCHEMBL14902491 | 0.83 | OPRD1 (0.50) | NPC1ALDH1A1NPFFR1NPFFR2OPRD1 | |
| SCHEMBL14902498 | 0.83 | NPC1 (0.51) | NPC1ALDH1A1GAATDP1SIGMAR1 |
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-106279110-A | Heterocyclic compound, medicine containing described compound and application thereof and its preparation method | 勃林格殷格翰国际有限公司 | 2017-01-04 | — | — | CN | disclosed |
| CN-104024244-B | Heterocyclic compounds, medicaments containing said compounds, their use and processes for their preparation | 勃林格殷格翰国际有限公司 | 2016-09-14 | — | — | CN | disclosed |