Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | AKT1 | P31749 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | TDO2 | P48775 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28295645 | 0.84 | ATM (0.58) | ATML3MBTL1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL8091287 | 0.81 | L3MBTL1 (0.57) | ATML3MBTL1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL9084597 | 0.74 | SMN1; SMN2 (0.61) | ATML3MBTL1SMN1; SMN2IDO1 | |
| SCHEMBL6514671 | 0.74 | ATM (0.66) | ATML3MBTL1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6813612 | 0.74 | CYP2D6 (0.50) | ATML3MBTL1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL5268968 | 0.73 | SMN1; SMN2 (0.70) | ATML3MBTL1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL2168415 | 0.73 | SMN1; SMN2 (0.70) | ATML3MBTL1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL7242928 | 0.73 | SMN1; SMN2 (0.59) | ATML3MBTL1CYP2D6SMN1; SMN2 | |
| SCHEMBL8135255 | 0.73 | HRH1 (0.52) | CYP1A2CYP2D6CYP2C19SMN1; SMN2HRH1 | |
| SCHEMBL5283339 | 0.72 | KCNH2 (0.50) | ATMCYP1A2CYP2D6CYP2C19SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0819000-B1 | NODULISPORIC ACID DERIVATIVES | MERCK & CO INC (US) | 2009-07-08 | — | — | EP | disclosed |