Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | GPR3 | P46089 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.37 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | TOP2A | P11388 | 1/20 | 0.37 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.35 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.32 |
| ▸ | NR0B1 | P51843 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30198446 | 0.77 | CYP1A2 (0.60) | CYP1A2KDM4EGPR3NPC1RAB9A | |
| SCHEMBL30527184 | 0.77 | CYP1A2 (0.60) | CYP1A2KDM4EGPR3NPC1RAB9A | |
| SCHEMBL1672650 | 0.77 | CYP1A2 (0.60) | CYP1A2KDM4EGPR3NPC1RAB9A | |
| SCHEMBL4309887 | 0.76 | PARP1 (0.36) | CYP1A2KDM4EGPR3SMN1; SMN2MAPT | |
| SCHEMBL3599781 | 0.76 | NPC1 (0.49) | CYP1A2KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4850129 | 0.75 | ADORA3 (0.50) | CYP1A2KDM4EGPR3NPC1RAB9A | |
| SCHEMBL13649235 | 0.72 | CYP1A2 (0.61) | CYP1A2KDM4EGPR3NPC1RAB9A | |
| SCHEMBL17179419 | 0.72 | PDGFRB (0.62) | CYP1A2SMN1; SMN2LMNAMAPTPDGFRB | |
| SCHEMBL2065802 | 0.72 | CYP1A2 (0.49) | CYP1A2KDM4EGPR3NPC1RAB9A | |
| SCHEMBL30767718 | 0.72 | FGFR1 (0.53) | CYP1A2KDM4EGPR3NPC1RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3160965-A1 | 3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES | Takeda Pharmaceutical Company Limited (JP) | 2017-05-03 | — | — | EP | disclosed |
| WO-2015198045-A1 | 3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-12-30 | — | — | WO | disclosed |