Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | MC4R | P32245 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | PRKCI | P41743 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | CCNC | P24863 | 1/20 | 0.34 |
| ▸ | CDK8 | P49336 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALPL | P05186 | 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 | |
|---|---|---|---|---|
| SCHEMBL877718 | 0.77 | BRD4 (0.53) | CASP1BRD4MC4RHTR2AHTR2C | |
| SCHEMBL77337 | 0.73 | HDAC4 (0.47) | BRD4NPC1RAB9ACCNCCDK8 | |
| SCHEMBL5685612 | 0.72 | CCR1 (0.55) | TSHRCASP1PDE10ANPC1RAB9A | |
| SCHEMBL22125640 | 0.72 | TSHR (0.43) | TSHRCASP1PDE10ANPC1RAB9A | |
| SCHEMBL16720187 | 0.72 | BRD4 (0.41) | CASP1BRD4MC4RNPC1RAB9A | |
| SCHEMBL3970148 | 0.71 | MAP4K4 (0.46) | TSHRCASP1BRD4NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL5688057 | 0.71 | CCR1 (0.53) | TSHRCASP1PDE10ANPC1RAB9A | |
| SCHEMBL2062450 | 0.70 | BRD4 (0.53) | CASP1BRD4MC4RNPC1RAB9A | |
| SCHEMBL31319136 | 0.70 | MAP4K4 (0.41) | BRD4 | |
| SCHEMBL31398200 | 0.69 | LPO (0.39) | TSHRCASP1BRD4NPC1RAB9A |
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-2049541-A2 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008016192-A2 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-02-07 | — | — | WO | disclosed |