Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | MET | P08581 | 4/20 | 0.31 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.30 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.30 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.30 |
| ▸ | PRKACG | P22612 | 1/20 | 0.30 |
| ▸ | SHMT2 | P34897 | 2/20 | 0.30 |
| ▸ | PDE2A | O00408 | 1/20 | 0.30 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | PDE5A | O76074 | 1/20 | 0.30 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18308511 | 0.79 | MRGPRX4 (0.40) | RAB9AMAPTNFKB1SMN1; SMN2 | |
| SCHEMBL18308384 | 0.73 | APLNR (0.35) | PDE10A | |
| SCHEMBL18308371 | 0.68 | MAP2K1 (0.35) | — | |
| SCHEMBL28727046 | 0.64 | SMN1; SMN2 (0.55) | RAB9AMAPTPDE10APDE3BPDE3A | |
| SCHEMBL8555054 | 0.62 | PDE10A (0.56) | CASP3SENP6RAB9AMAPTPDE10A | |
| SCHEMBL20373766 | 0.60 | GPR84 (0.36) | PDE5APDE4A | |
| SCHEMBL8559774 | 0.60 | RAB9A (0.56) | CASP3SENP6RAB9AMAPTPDE10A | |
| SCHEMBL4429531 | 0.60 | PDE10A (0.75) | RAB9AMAPTPDE10APDE3BPDE3A | |
| SCHEMBL10867414 | 0.59 | RAB9A (0.58) | CASP3SENP6RAB9AMAPTPDE10A | |
| SCHEMBL23745145 | 0.58 | BRD4 (0.60) | CYP3A4CYP2D6CYP2C9CYP2C19PDE4B |
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-2016199943-A1 | HETEROCYCLIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-12-15 | — | — | WO | disclosed |