Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.70 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.68 |
| ▸ | NPC1 | O15118 | 7/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.60 |
| ▸ | RAB9A | P51151 | 6/20 | 0.60 |
| ▸ | HPGD | P15428 | 3/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL31758152 | 0.88 | KDM4E (0.60) | GAAKDM4ENPC1SMN1; SMN2RAB9A | |
| SCHEMBL2330242 | 0.85 | GAA (0.82) | GAAKDM4ENPC1SMN1; SMN2RAB9A | |
| SCHEMBL5857396 | 0.85 | TSHR (0.64) | GAAKDM4ENPC1SMN1; SMN2RAB9A | |
| SCHEMBL12491240 | 0.83 | KDM4E (0.72) | GAAKDM4ENPC1SMN1; SMN2RAB9A | |
| SCHEMBL1935628 | 0.83 | GAA (1.00) | GAAKDM4ENPC1SMN1; SMN2RAB9A | |
| SCHEMBL3077089 | 0.81 | KDM4E (0.74) | GAAKDM4ENPC1SMN1; SMN2RAB9A | |
| SCHEMBL3814103 | 0.80 | GAA (0.69) | GAAKDM4ENPC1SMN1; SMN2RAB9A | |
| Hydrochloric Acid SCHEMBL31169755 | 0.80 | KDM4E (0.72) | GAAKDM4ENPC1SMN1; SMN2RAB9A | |
| SCHEMBL4578939 | 0.80 | KDM4E (0.77) | GAAKDM4ENPC1SMN1; SMN2RAB9A | |
| SCHEMBL4578943 | 0.80 | KDM4E (0.77) | GAAKDM4ENPC1SMN1; SMN2RAB9A |
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-2012123471-A1 | THIAZOLE AND THIOPHENE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-09-20 | — | — | WO | disclosed |