Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 8/20 | 0.49 |
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14833280 | 0.90 | DHODH (0.45) | DHODHGPBAR1CYP2C19CYP3A4NPSR1 | |
| SCHEMBL14814993 | 0.88 | DHODH (0.47) | DHODHGPBAR1CYP2C19CYP3A4NPSR1 | |
| SCHEMBL14814566 | 0.88 | DHODH (0.51) | DHODHGPBAR1CYP2C19CYP3A4NPSR1 | |
| SCHEMBL14814905 | 0.70 | GPBAR1 (0.45) | DHODHGPBAR1CYP2C19CYP3A4LMNA | |
| SCHEMBL14814884 | 0.69 | GPBAR1 (0.44) | DHODHGPBAR1CYP2C19CYP3A4LMNA | |
| SCHEMBL14814904 | 0.69 | GPBAR1 (0.43) | DHODHGPBAR1CYP2C19CYP3A4LMNA | |
| SCHEMBL11006800 | 0.67 | SMN1; SMN2 (0.53) | GPBAR1CYP2C19CYP3A4GAAALDH1A1 | |
| SCHEMBL28719395 | 0.66 | SMN1; SMN2 (0.51) | DHODHCYP2C19NPSR1HTTLMNA | |
| SCHEMBL16742064 | 0.66 | DHODH (1.00) | DHODH | |
| SCHEMBL14814910 | 0.63 | SMN1; SMN2 (0.46) | DHODHCYP2C19NPSR1HTTLMNA |
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-2013049585-A1 | ARYLSUBSTITUTED THIAZOLOTRIAZOLES AND THIAZOLOIMIDAZOLES | HENGRUI (USA), LTD. (US) | 2013-04-04 | — | — | WO | disclosed |