Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | DAO | P14920 | 3/20 | 0.36 |
| ▸ | B3GNT2 | Q9NY97 | 2/20 | 0.34 |
| ▸ | KIF15 | Q9NS87 | 1/20 | 0.34 |
| ▸ | USP1 | O94782 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2083841 | 0.79 | CRHR1 (0.33) | — | |
| SCHEMBL3207595 | 0.76 | KDM4E (0.39) | POLBDAOB3GNT2USP1MEN1 | |
| SCHEMBL2084761 | 0.74 | ADORA3 (0.42) | POLBDAOMEN1CYP1A2KMT2A | |
| SCHEMBL3733140 | 0.72 | DAO (0.38) | DAOMEN1CYP1A2KMT2A | |
| SCHEMBL3746600 | 0.68 | CYP1A2 (0.39) | POLBDAOMEN1CYP1A2KMT2A | |
| SCHEMBL3202684 | 0.68 | MPO (0.44) | MEN1CYP1A2KMT2A | |
| SCHEMBL8099063 | 0.68 | CYP1A2 (0.49) | KIF15MEN1CYP1A2KMT2A | |
| SCHEMBL1496416 | 0.65 | POLB (0.51) | POLBDAOB3GNT2 | |
| SCHEMBL27801894 | 0.65 | POLB (0.59) | POLBDAOB3GNT2MEN1CYP1A2 | |
| SCHEMBL2084665 | 0.65 | CRHR1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8163935-B2 | Fused heterocyclic compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-04-24 | — | — | US | disclosed |