Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 6/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 3/20 | 0.40 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.40 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6872072 | 0.86 | CYP1A2 (0.50) | MAPTALDH1A1SMN1; SMN2KDM4ECYP1A2 | |
| SCHEMBL6883484 | 0.81 | SLC6A2 (0.42) | MAPTALDH1A1SMN1; SMN2KDM4EHTT | |
| SCHEMBL16670315 | 0.76 | KMT2A (0.50) | MAPTALDH1A1SMN1; SMN2KDM4ECYP1A2 | |
| SCHEMBL6872458 | 0.73 | KMT2A (0.63) | MAPTALDH1A1SMN1; SMN2KDM4ECYP1A2 | |
| SCHEMBL25204693 | 0.72 | MAPT (0.46) | MAPTALDH1A1SMN1; SMN2KDM4ECYP1A2 | |
| SCHEMBL31467164 | 0.69 | ALDH1A1 (0.69) | MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9 | |
| SCHEMBL11009450 | 0.69 | ALDH1A1 (0.69) | MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9 | |
| SCHEMBL3972170 | 0.68 | ALDH1A1 (0.43) | ALDH1A1CYP2C19MEN1KMT2A | |
| SCHEMBL15584082 | 0.66 | PPARG (0.49) | MAPTALDH1A1SMN1; SMN2KDM4ETDP1 | |
| SCHEMBL3290447 | 0.65 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2KDM4ECYP1A2CYP2C9 |
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-3060550-B1 | HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2019-05-15 | — | — | EP | disclosed |