Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 13/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3364363 | 0.87 | HSP90AA1 (0.41) | SCN9ASMN1; SMN2 | |
| SCHEMBL3364448 | 0.82 | BRD4 (0.47) | BRD4SCN9AKDM4EHPGDHSD17B10 | |
| SCHEMBL3365864 | 0.81 | CRHR1 (0.44) | KDM4EKMT2AMEN1CYP1A2CYP2C9 | |
| SCHEMBL3364589 | 0.80 | BRD4 (0.44) | BRD4SCN9A | |
| SCHEMBL3368213 | 0.79 | GABRG2 (0.51) | KMT2AMEN1SMN1; SMN2ALDH1A1 | |
| SCHEMBL3365908 | 0.79 | BRD4 (0.44) | BRD4KDM4EHPGDHSD17B10KMT2A | |
| SCHEMBL3363718 | 0.76 | GABRG2 (0.42) | HPGDSMN1; SMN2ALDH1A1 | |
| SCHEMBL3364228 | 0.76 | CRHR1 (0.46) | KDM4EHPGDHSD17B10ALDH1A1 | |
| SCHEMBL3367673 | 0.76 | S1PR4 (0.38) | KDM4EHPGDHSD17B10KMT2AMEN1 | |
| SCHEMBL3365035 | 0.75 | TP53 (0.39) | KDM4EHPGDCYP1A2CYP2C9SMN1; SMN2 |
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 |