Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.47 |
| ▸ | CDK9 | P50750 | 4/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | PDE1A | P54750 | 1/20 | 0.37 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.37 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | UBE2M | P61081 | 1/20 | 0.37 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10292536 | 0.86 | SMO (0.46) | SMOCDK9CNR1KCNH2MCHR1 | |
| SCHEMBL10004198 | 0.86 | SMO (0.56) | SMOCDK9CNR1PDE1APDE1B | |
| SCHEMBL10292460 | 0.85 | SMO (0.47) | SMODCUN1D1 | |
| SCHEMBL18117697 | 0.85 | SMO (0.47) | SMOCDK9CCNT1 | |
| SCHEMBL10004193 | 0.78 | SMO (0.55) | SMOBRD4UBE2MDCUN1D1 | |
| SCHEMBL10004591 | 0.78 | SMO (0.60) | SMOCNR1PDE1APDE1BPDE1C | |
| SCHEMBL10004896 | 0.78 | SMO (0.55) | SMOMCHR1 | |
| SCHEMBL10004495 | 0.77 | SMO (0.55) | SMOCNR1TP53 | |
| SCHEMBL12825022 | 0.75 | SMO (0.43) | SMOCDK9CCNT1 | |
| SCHEMBL17677392 | 0.74 | SMO (0.61) | SMOCNR1TP53 |
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 |
| WO-2011024871-A1 | FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF | 武田薬品工業株式会社 (JP) | 2011-03-03 | — | — | WO | disclosed |