Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 10/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.37 |
| ▸ | LMNA | P02545 | 4/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL14814993 | 0.97 | DHODH (0.47) | DHODHCYP2C19CYP3A4GPBAR1NPSR1 | |
| SCHEMBL14830237 | 0.90 | DHODH (0.49) | DHODHCYP2C19CYP3A4GPBAR1NPSR1 | |
| SCHEMBL14814566 | 0.81 | DHODH (0.51) | DHODHCYP2C19CYP3A4GPBAR1NPSR1 | |
| SCHEMBL14814910 | 0.76 | SMN1; SMN2 (0.46) | DHODHCYP2C19NPSR1LMNAADORA3 | |
| SCHEMBL14827149 | 0.75 | KMT2A (0.55) | DHODHCYP2C19NPSR1LMNAHTT | |
| SCHEMBL14814557 | 0.73 | DHODH (0.63) | DHODHCYP2C19NPSR1ALDH1A1MEN1 | |
| SCHEMBL6494266 | 0.70 | CHRNA1 (0.43) | CYP2C19CYP3A4GPBAR1SMN1; SMN2MAPT | |
| SCHEMBL14814999 | 0.69 | MEN1 (0.51) | NPSR1LMNAADORA3HTTSMN1; SMN2 | |
| SCHEMBL14108121 | 0.65 | RAB9A (0.41) | CYP2C19SMN1; SMN2MAPTMEN1CYP1A2 | |
| SCHEMBL14814905 | 0.65 | GPBAR1 (0.45) | DHODHCYP2C19CYP3A4GPBAR1LMNA |
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 |