Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | GPR183 | P32249 | 4/20 | 0.40 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16963054 | 1.00 | KDM4E (0.42) | KDM4EALDH1A1KMT2ATDP1L3MBTL1 | |
| SCHEMBL16963051 | 1.00 | KDM4E (0.42) | KDM4EALDH1A1KMT2ATDP1L3MBTL1 | |
| SCHEMBL16962983 | 0.91 | GPR183 (0.39) | GPR183KCNH2 | |
| SCHEMBL21322946 | 0.91 | GPR183 (0.39) | GPR183KCNH2 | |
| SCHEMBL16962978 | 0.91 | GPR183 (0.39) | GPR183KCNH2 | |
| SCHEMBL21323310 | 0.88 | GPR183 (0.54) | ALDH1A1GPR183KCNH2 | |
| SCHEMBL21323311 | 0.88 | GPR183 (0.54) | ALDH1A1GPR183KCNH2 | |
| SCHEMBL16963765 | 0.88 | GPR183 (0.54) | ALDH1A1GPR183KCNH2 | |
| SCHEMBL16963768 | 0.88 | GPR183 (0.54) | ALDH1A1GPR183KCNH2 | |
| SCHEMBL16962642 | 0.87 | GPR183 (0.48) | ALDH1A1KMT2AGPR183KCNH2 |
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-2900669-B1 | HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AND RELATED COMPOUNDS AS AUTOTAXIN (ATX) INHIBITORS AND AS INHIBITORS OF THE LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION FOR TREATING E.G. RENAL DISEASES | HOFFMANN LA ROCHE (CH) | 2019-09-04 | — | — | EP | disclosed |