Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.49 |
| ▸ | KMO | O15229 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.37 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.37 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL447060 | 0.82 | CYP19A1 (0.47) | IDO1KMODYRK1AALDH1A1L3MBTL1 | |
| SCHEMBL3396168 | 0.80 | KMO (0.35) | IDO1KMODYRK1APIK3CAPIK3CB | |
| SCHEMBL38658216 | 0.79 | DYRK1A (0.35) | DYRK1APIK3CAPIK3CBPIK3CGCYP3A4 | |
| SCHEMBL2353608 | 0.79 | CYP1A2 (0.44) | IDO1DYRK1AALDH1A1L3MBTL1GAA | |
| SCHEMBL4001966 | 0.77 | TDP1 (0.49) | ALDH1A1GAA | |
| SCHEMBL17453624 | 0.77 | ALDH1A1 (0.41) | KMODYRK1APIK3CAPIK3CBPIK3CG | |
| SCHEMBL28101879 | 0.76 | IDO1 (0.49) | IDO1ALDH1A1CNR2L3MBTL1MAPK14 | |
| SCHEMBL1469707 | 0.75 | KMO (0.33) | KMOALDH1A1 | |
| SCHEMBL11064947 | 0.75 | IDO1 (0.51) | IDO1ALDH1A1L3MBTL1GAAMAPK14 | |
| SCHEMBL5786593 | 0.74 | MAPT (0.43) | DYRK1AALDH1A1GAACYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106794181-A | MTH1 inhibitors for the treatment of inflammatory and autoimmune conditions | 托马斯·黑勒戴药物研究基金会 | 2017-05-31 | — | — | CN | disclosed |