Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 3/20 | 0.41 |
| ▸ | DGAT2 | Q96PD7 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL3364346 | 0.87 | GABRG2 (0.43) | HSD17B10KMT2A | |
| SCHEMBL3365864 | 0.84 | CRHR1 (0.44) | KDM4ELMNAALDH1A1SMN1; SMN2ADORA3 | |
| SCHEMBL3368213 | 0.84 | GABRG2 (0.51) | LMNAALDH1A1SMN1; SMN2ADORA3MEN1 | |
| SCHEMBL3363718 | 0.84 | GABRG2 (0.42) | MAPTHPGDLMNAALDH1A1SMN1; SMN2 | |
| SCHEMBL3364363 | 0.83 | HSP90AA1 (0.41) | HSP90AA1HSP90AB1MAPK1SMN1; SMN2 | |
| SCHEMBL3364994 | 0.81 | BRD4 (0.46) | BRD4HSP90AA1HSP90AB1TP53DGAT2 | |
| SCHEMBL3365035 | 0.81 | TP53 (0.39) | TP53MAPTKDM4EHPGDALDH1A1 | |
| SCHEMBL3365574 | 0.80 | BRD4 (0.47) | BRD4DGAT2TSHRMAPK1MAPT | |
| SCHEMBL3368191 | 0.80 | TUBB4A (0.38) | PIK3CGMAPTKDM4EHSD17B10MEN1 | |
| SCHEMBL3362490 | 0.80 | HRH4 (0.40) | MAPK1GPR84ALDH1A1HSD17B10 |
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-1656353-B1 | GABANERGIC MODULATORS | HOFFMANN LA ROCHE (CH) | 2010-01-27 | — | — | EP | claimed |