Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.35 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.34 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.34 |
| ▸ | ITGAV | P06756 | 1/20 | 0.34 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.34 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL4281406 | 0.78 | KDM4E (0.36) | ALDH1A1MAPTGAAKDM4ECYP1A2 | |
| SCHEMBL4285849 | 0.77 | SLC6A4 (0.47) | ITGA5 | |
| SCHEMBL4288939 | 0.76 | TSHR (0.44) | ALDH1A1MAPTLMNAHTTITGA5 | |
| SCHEMBL4291883 | 0.75 | SLC6A3 (0.46) | ALDH1A1MAPTKDM4ELMNAHTT | |
| SCHEMBL4280120 | 0.75 | LMNA (0.40) | MAPTLMNAITGA5NPSR1 | |
| SCHEMBL4282512 | 0.74 | HCRTR2 (0.47) | ALDH1A1CYP2C9CYP2C19HTTHSD17B10 | |
| SCHEMBL4285494 | 0.74 | SLC6A3 (0.43) | — | |
| SCHEMBL4282256 | 0.74 | HCRTR2 (0.43) | KDM4ELMNANPSR1 | |
| SCHEMBL4294072 | 0.72 | CHRNB4 (0.41) | ALDH1A1GAACYP2C9CYP2C19 | |
| SCHEMBL4291624 | 0.72 | HCRTR2 (0.42) | NPSR1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009072643-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-06-11 | — | — | WO | disclosed |