Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.30 |
| ▸ | CTSL | P07711 | 1/20 | 0.30 |
| ▸ | CTSS | P25774 | 1/20 | 0.30 |
| ▸ | CTSK | P43235 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL175353 | 1.00 | CYP2C9 (0.53) | CYP2C9CYP3A4CYP2D6GAAKDM4E | |
| SCHEMBL5666344 | 0.86 | CYP3A4 (0.53) | CYP2C9CYP3A4CYP2D6GAAKDM4E | |
| SCHEMBL11054883 | 0.84 | CYP2C9 (0.41) | CYP2C9CYP3A4CYP2D6GAAKDM4E | |
| SCHEMBL11054888 | 0.84 | CYP2C9 (0.41) | CYP2C9CYP3A4CYP2D6GAAKDM4E | |
| SCHEMBL2388115 | 0.81 | CYP3A4 (0.51) | CYP2C9CYP3A4CYP2D6GAACNR2 | |
| SCHEMBL2388120 | 0.81 | CYP3A4 (0.51) | CYP2C9CYP3A4CYP2D6GAACNR2 | |
| SCHEMBL12848198 | 0.79 | CYP3A4 (0.50) | CYP2C9CYP3A4CYP2D6CNR2HTR1A | |
| SCHEMBL21239586 | 0.77 | CYP3A4 (0.46) | CYP2C9CYP3A4CYP2D6GAAKDM4E | |
| SCHEMBL1758445 | 0.77 | CYP2C9 (0.53) | CYP2C9CYP3A4CYP2D6GAAKDM4E | |
| SCHEMBL1758444 | 0.77 | CYP2C9 (0.53) | CYP2C9CYP3A4CYP2D6GAAKDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3956338-A1 | METAL COMPLEXES | Merck Patent GmbH (DE) | 2022-02-23 | — | — | EP | disclosed |
| WO-2021110720-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2021-06-10 | — | — | WO | disclosed |
| WO-2020212296-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2020-10-22 | — | — | WO | disclosed |
| WO-2011116857-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2011-09-29 | — | — | WO | disclosed |