Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | LCK | P06239 | 1/20 | 0.43 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.42 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.42 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 1/20 | 0.42 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.42 |
| ▸ | DHODH | Q02127 | 2/20 | 0.42 |
| ▸ | GAK | O14976 | 1/20 | 0.41 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2910799 | 0.89 | CFTR (0.49) | CFTRMAPTLCKKDM4EALDH1A1 | |
| SCHEMBL9998041 | 0.86 | KDM4E (0.52) | MAPTDHODHKDM4EALDH1A1MEN1 | |
| SCHEMBL28608277 | 0.85 | CFTR (0.51) | CFTRMAPTCDK2DHODHCSNK1D | |
| SCHEMBL2907173 | 0.83 | DHODH (0.46) | LCKDHODHDYRK1AHTTSMN1; SMN2 | |
| SCHEMBL2908530 | 0.82 | PLA2G2A (0.50) | MAPTLCKDHODHKDM4ELMNA | |
| SCHEMBL2935296 | 0.81 | GABRP (0.48) | MAPTLCKKDM4EL3MBTL1GAA | |
| SCHEMBL9642486 | 0.80 | CFTR (0.51) | CFTRMAPTCDK2DHODHKDM4E | |
| SCHEMBL2904885 | 0.79 | GAA (0.44) | MAPTLCKKDM4EALDH1A1LMNA | |
| SCHEMBL2908877 | 0.79 | GAA (0.50) | MAPTLCKKDM4EALDH1A1LMNA | |
| SCHEMBL17769119 | 0.79 | L3MBTL1 (0.57) | MAPTLCKKDM4EALDH1A1HTT |
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-3074400-B1 | OCTAHYDRO-CYCLOBUTA [1,2-C;3,4-C']DIPYRROLE DERIVATIVES AS AUTOTAXIN INHIBITORS | HOFFMANN LA ROCHE (CH) | 2017-11-15 | — | — | EP | disclosed |