Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | MPO | P05164 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | GFER | P55789 | 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 | |
|---|---|---|---|---|
| SCHEMBL28079257 | 0.85 | MPO (0.43) | MPOFAAHMGLLRORCADORA3 | |
| SCHEMBL16516985 | 0.76 | GAA (0.43) | GAASMN1; SMN2 | |
| SCHEMBL28079255 | 0.66 | — | — | |
| SCHEMBL16516700 | 0.64 | STAT1 (0.49) | MPORORCKDM4ECYP1A2CYP3A4 | |
| SCHEMBL16532431 | 0.63 | ELANE (0.51) | MPORORCKDM4ECYP1A2CYP3A4 | |
| SCHEMBL16517440 | 0.63 | SCN9A (0.57) | — | |
| SCHEMBL16516971 | 0.63 | ELANE (0.48) | MPOKDM4ECYP1A2CYP3A4MAPT | |
| SCHEMBL29439744 | 0.63 | MPO (0.49) | MPOFAAHMGLLADORA3MAPT | |
| SCHEMBL31633115 | 0.62 | ESR1 (0.56) | ESR1MAPTCYP2C9LMNA | |
| SCHEMBL16516642 | 0.61 | ALDH1A1 (0.47) | MPOKDM4EMAPTPKMGAA |
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 |