Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.51 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.49 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.49 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.49 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.49 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.49 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.49 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.49 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 3/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.48 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.48 |
| ▸ | EIF4E | P06730 | 1/20 | 0.47 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.47 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.47 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4600243 | 0.88 | PRKAB2 (0.55) | SMN1; SMN2KDM4EPRKAB2PRKAG1PRKAA2 | |
| SCHEMBL29853676 | 0.85 | SMN1; SMN2 (0.79) | SMN1; SMN2KDM4EPOLBAKR1C3AKR1C2 | |
| SCHEMBL7267474 | 0.85 | SMN1; SMN2 (0.79) | SMN1; SMN2KDM4EPOLBAKR1C3AKR1C2 | |
| SCHEMBL6536172 | 0.83 | SMN1; SMN2 (0.62) | SMN1; SMN2KDM4EPTPN11POLBAKR1C3 | |
| SCHEMBL5342329 | 0.81 | SMN1; SMN2 (0.84) | SMN1; SMN2KDM4EPOLBAKR1C3AKR1C2 | |
| SCHEMBL22537008 | 0.80 | NPC1 (0.55) | SMN1; SMN2KDM4EGRM2RAB9ANPC1 | |
| SCHEMBL14397805 | 0.80 | SMN1; SMN2 (0.58) | SMN1; SMN2KDM4EPTPN11POLBAKR1C3 | |
| SCHEMBL6574617 | 0.80 | LMNA (0.53) | SMN1; SMN2KDM4ERAB9ANPC1ALDH1A1 | |
| SCHEMBL2552037 | 0.79 | SMN1; SMN2 (0.57) | SMN1; SMN2KDM4EPTPN11POLBAKR1C3 | |
| SCHEMBL2313208 | 0.79 | KDM4E (0.54) | SMN1; SMN2KDM4EPRKAB2PRKAG1PRKAA2 |
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-104903300-B | COMT inhibitor | 霍夫曼-拉罗奇有限公司 | 2018-04-17 | — | — | CN | disclosed |
| CN-104903300-A | Comt inhibitors | HOFFMANN LA ROCHE | 2015-09-09 | — | — | CN | disclosed |