Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.51 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.51 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.51 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.51 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.51 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.51 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | PLK1 | P53350 | 1/20 | 0.47 |
| ▸ | GRK6 | P43250 | 1/20 | 0.45 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.45 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.45 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28191526 | 0.87 | MAPT (0.56) | PIN1LMNAALDH1A1PRKAB2PRKAG1 | |
| SCHEMBL9353501 | 0.82 | PRKAG1 (0.53) | ALDH1A1PRKAB2PRKAG1PRKAA2PRKAA1 | |
| SCHEMBL948199 | 0.80 | KDM4E (0.50) | PIN1LMNAALDH1A1PRKAB2PRKAG1 | |
| SCHEMBL10432377 | 0.79 | PIN1 (0.52) | PIN1PLK1GRK6NOTUMGPR35 | |
| SCHEMBL4700185 | 0.77 | TDO2 (0.55) | LMNAALDH1A1NR1H2NR1H3NOTUM | |
| SCHEMBL1870966 | 0.77 | DYRK1A (0.54) | PIN1LMNAALDH1A1PRKAB2PRKAG1 | |
| SCHEMBL12466749 | 0.76 | ALDH1A1 (0.56) | PIN1LMNAALDH1A1PRKAB2PRKAG1 | |
| SCHEMBL15995331 | 0.76 | ROCK1 (0.68) | DYRK1A | |
| SCHEMBL16109091 | 0.76 | KDM4E (0.36) | PIN1LMNAALDH1A1PRKAB2PRKAG1 | |
| SCHEMBL15510700 | 0.76 | KDM4E (0.40) | PIN1LMNAALDH1A1PRKAB2PRKAG1 |
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-107406427-A | Alkynyl alcohols and methods of use thereof | 豪夫迈·罗氏有限公司 | 2017-11-28 | — | — | CN | disclosed |