Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.35 |
| ▸ | DRD4 | P21917 | 2/20 | 0.35 |
| ▸ | DRD3 | P35462 | 2/20 | 0.35 |
| ▸ | DHODH | Q02127 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.34 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.34 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.34 |
| ▸ | CASR | P41180 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27656665 | 0.89 | TP53 (0.35) | TP53MAPTGAADHODHUSP2 | |
| SCHEMBL3364363 | 0.84 | HSP90AA1 (0.41) | SMN1; SMN2PPARGPPARA | |
| SCHEMBL3364683 | 0.82 | TP53 (0.40) | TP53MAPTGAADRD2DRD4 | |
| SCHEMBL3363718 | 0.82 | GABRG2 (0.42) | MAPTHPGDSMN1; SMN2ALDH1A1 | |
| SCHEMBL3364346 | 0.81 | GABRG2 (0.43) | — | |
| SCHEMBL3362490 | 0.81 | HRH4 (0.40) | ALDH1A1PDE10A | |
| SCHEMBL3368191 | 0.81 | TUBB4A (0.38) | MAPTUSP2ALOX15KDM4E | |
| SCHEMBL3367042 | 0.78 | DHODH (0.41) | TP53MAPTGAADHODHUSP2 | |
| SCHEMBL3364228 | 0.77 | CRHR1 (0.46) | GAAHPGDALDH1A1KDM4E | |
| SCHEMBL3367673 | 0.77 | S1PR4 (0.38) | TP53GAAHPGDSMN1; SMN2ALDH1A1 |
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 |