Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | NR4A1 | P22736 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | DPP4 | P27487 | 1/20 | 0.43 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.43 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.43 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.43 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 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 | |
|---|---|---|---|---|
| SCHEMBL23106921 | 0.84 | HTR3A (0.53) | NCF1ALDH1A1MAPTDPP4DPP8 | |
| SCHEMBL2366124 | 0.82 | ADRB1 (0.50) | NCF1CYP1A2 | |
| SCHEMBL20633244 | 0.79 | KDM4E (0.49) | ALDH1A1GAAMEN1MAPTKMT2A | |
| SCHEMBL16039819 | 0.76 | ALDH1A1 (0.44) | NCF1ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL22239737 | 0.76 | TSHR (0.44) | ALDH1A1GAAMEN1MAPTKMT2A | |
| SCHEMBL18291446 | 0.76 | DRD3 (0.50) | ALDH1A1MEN1MAPTKMT2ASMN1; SMN2 | |
| SCHEMBL16040909 | 0.74 | KDM4E (0.43) | NCF1ALDH1A1GAAMEN1MAPT | |
| SCHEMBL8634931 | 0.73 | NCF1 (0.61) | NCF1ALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL12787949 | 0.73 | NCF1 (0.51) | NCF1ALDH1A1GAAMEN1MAPT | |
| SCHEMBL10514624 | 0.72 | ALDH1A1 (0.49) | NCF1ALDH1A1GAAMEN1MAPT |
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-105209468-B | Substitution 7 Azabicyclic compounds and they as orexin receptor conditioning agent purposes | 詹森药业有限公司 | 2017-09-08 | — | — | CN | disclosed |
| CN-105209468-A | Substituted 7-azabicycles and their use as orexin receptor modulators | JANSSEN PHARMACEUTICA NV | 2015-12-30 | — | — | CN | disclosed |