Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 2/20 | 0.56 |
| ▸ | PARP1 | P09874 | 1/20 | 0.53 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.49 |
| ▸ | CFD | P00746 | 12/20 | 0.46 |
| ▸ | CNR1 | P21554 | 3/20 | 0.43 |
| ▸ | CNR2 | P34972 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8877216 | 0.85 | ELANE (0.55) | ELANEPARP1SCN9ACFDCNR1 | |
| SCHEMBL12479559 | 0.84 | HSD17B10 (0.61) | ELANEPARP1SCN9ACFD | |
| SCHEMBL29358880 | 0.84 | HSD17B10 (0.61) | ELANEPARP1SCN9ACFD | |
| SCHEMBL19236682 | 0.83 | ELANE (0.52) | ELANEPARP1SCN9ACFDCNR1 | |
| SCHEMBL30146914 | 0.83 | ELANE (0.52) | ELANEPARP1SCN9ACFDCNR1 | |
| SCHEMBL8875998 | 0.83 | PARP1 (0.56) | ELANEPARP1SCN9ACFDCNR1 | |
| SCHEMBL31647277 | 0.83 | PTGER4 (0.60) | ELANEPARP1SCN9ACNR1CNR2 | |
| SCHEMBL3775553 | 0.83 | PTGER4 (0.60) | ELANEPARP1SCN9ACNR1CNR2 | |
| SCHEMBL18967134 | 0.83 | ELANE (0.52) | ELANEPARP1SCN9ACFDCNR1 | |
| SCHEMBL8876579 | 0.81 | ELANE (0.51) | ELANEPARP1SCN9ACFDCNR1 |
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-105658640-A | Alkynyl alcohols and methods of use | 豪夫迈·罗氏有限公司 | 2016-06-08 | — | — | CN | disclosed |