Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NNMT | P40261 | 1/20 | 0.38 |
| ▸ | CD38 | P28907 | 1/20 | 0.38 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 4/20 | 0.36 |
| ▸ | CDC7 | O00311 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13504652 | 0.92 | KDM4E (0.37) | KDM4ENNMTCD38MAPK8L3MBTL1 | |
| SCHEMBL1003868 | 0.90 | KDM4E (0.44) | KDM4ENNMTCD38MAPK8L3MBTL1 | |
| SCHEMBL27516124 | 0.80 | KDM4E (0.50) | KDM4ETDP1 | |
| SCHEMBL3351899 | 0.79 | KDM4E (0.37) | KDM4ENNMTCD38MAPK8L3MBTL1 | |
| SCHEMBL14604836 | 0.78 | KDM4E (0.44) | KDM4ENNMTMAPK8L3MBTL1POLB | |
| SCHEMBL4951717 | 0.78 | SMN1; SMN2 (0.39) | KDM4ENNMTL3MBTL1POLBPARP1 | |
| SCHEMBL1521942 | 0.76 | POLB (0.37) | KDM4ENNMTL3MBTL1POLBPARP1 | |
| SCHEMBL6173916 | 0.76 | PARP1 (0.43) | CD38MAPK8PARP1 | |
| SCHEMBL45719 | 0.76 | PARP1 (0.51) | KDM4EPARP1CYP3A4 | |
| SCHEMBL6001788 | 0.75 | ALDH1A1 (0.38) | KDM4EPARP1CDC7SMN1; SMN2TDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1453789-A2 | N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | Elan Pharmaceuticals, Inc. (US) | 2004-09-08 | — | — | EP | claimed |
| WO-2003040096-A2 | N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | ELAN PHARMACEUTICALS, INC. (US) | 2003-05-15 | — | — | WO | claimed |
| US-7176242-B2 | N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2007-02-13 | — | — | US | disclosed |