Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | MC4R | P32245 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
| ▸ | DRD3 | P35462 | 2/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 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 | |
|---|---|---|---|---|
| SCHEMBL12825355 | 0.86 | SMO (0.47) | SMOKCNH2MCHR1CNR1CCNT1 | |
| SCHEMBL10004690 | 0.86 | SMO (0.54) | SMOKCNH2MC4RDRD2DRD3 | |
| SCHEMBL18117697 | 0.83 | SMO (0.47) | SMOCCNT1CDK9 | |
| SCHEMBL10292460 | 0.82 | SMO (0.47) | SMOHTT | |
| SCHEMBL10004628 | 0.80 | SMO (0.59) | SMOHSD17B10DRD2DRD3LMNA | |
| SCHEMBL10004495 | 0.79 | SMO (0.55) | SMOCNR1CNR2 | |
| SCHEMBL17677392 | 0.78 | SMO (0.61) | SMOHSD17B10LMNAHTTSMN1; SMN2 | |
| SCHEMBL12824595 | 0.74 | SMO (0.41) | SMOHSD17B10LMNAHTTSMN1; SMN2 | |
| SCHEMBL10004056 | 0.74 | SMO (0.55) | SMOHSD17B10DRD2DRD3 | |
| SCHEMBL10004591 | 0.73 | SMO (0.60) | SMOHTTSMN1; SMN2CNR1CNR2 |
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-2471793-B1 | FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2016-10-05 | — | — | EP | disclosed |
| EP-2471793-A1 | FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2012-07-04 | — | — | EP | disclosed |