Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | REN | P00797 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.32 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.32 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.32 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.32 |
| ▸ | HAMP | P81172 | 1/20 | 0.32 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL27798924 | 0.86 | TDP1 (0.38) | CHRNB2CHRNA4HRH4CHRNB4CHRNA3 | |
| SCHEMBL15360065 | 0.85 | CHRNB2 (0.47) | CHRNB2CHRNA4HRH4CHRNB4CHRNA3 | |
| SCHEMBL4332763 | 0.85 | CHRNB2 (0.47) | CHRNB2CHRNA4HRH4CHRNB4CHRNA3 | |
| SCHEMBL15360066 | 0.85 | CHRNB2 (0.47) | CHRNB2CHRNA4HRH4CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL17560335 | 0.83 | CHRNB2 (0.46) | CHRNB2CHRNA4HRH4CHRNB4CHRNA3 | |
| Tert-Butyl Formate SCHEMBL28058837 | 0.82 | PLD1 (0.38) | CHRNB2CHRNA4HRH4CHRNA3TDP1 | |
| Tert-Butyl Formate SCHEMBL28058834 | 0.82 | PLD1 (0.38) | CHRNB2CHRNA4HRH4CHRNA3TDP1 | |
| Tert-Butyl Formate SCHEMBL28876717 | 0.82 | PLD1 (0.38) | CHRNB2CHRNA4HRH4CHRNA3TDP1 | |
| SCHEMBL105348 | 0.77 | NR1H2 (0.47) | BIRC2KDM4E | |
| SCHEMBL16018 | 0.77 | NR1H2 (0.47) | BIRC2KDM4E |
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-105399698-A | Aromatic heterocyclic derivatives and applications of aromatic heterocyclic derivatives in medicines | GUANGDONG HEC PHARMACEUTICAL | 2016-03-16 | — | — | CN | disclosed |