Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 1/20 | 0.45 |
| ▸ | PIP5K1C | O60331 | 9/20 | 0.41 |
| ▸ | KDR | P35968 | 3/20 | 0.37 |
| ▸ | MGLL | Q99685 | 2/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | OXTR | P30559 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
| ▸ | ACACA | Q13085 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 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 | |
|---|---|---|---|---|
| SCHEMBL12028453 | 0.91 | ITK (0.47) | ITKPIP5K1CKDRMGLLCNR1 | |
| SCHEMBL12028506 | 0.89 | ITK (0.49) | ITKPIP5K1CKDRMGLLACACB | |
| SCHEMBL23808289 | 0.89 | ITK (0.48) | ITKPIP5K1CKDRMGLLACACB | |
| SCHEMBL12028510 | 0.88 | ITK (0.48) | ITKPIP5K1CKDRMGLLCHEK1 | |
| SCHEMBL12028443 | 0.86 | ITK (0.56) | ITKPIP5K1CKDRCHEK1FLT3 | |
| SCHEMBL12028517 | 0.86 | ITK (0.50) | ITKPIP5K1CKDRMGLLACACB | |
| SCHEMBL12028515 | 0.85 | ITK (0.46) | ITKPIP5K1CKDRCHEK1 | |
| SCHEMBL23808291 | 0.85 | ITK (0.43) | ITKPIP5K1CKDRACACBACACA | |
| SCHEMBL12028451 | 0.85 | ITK (0.44) | ITKPIP5K1CKDR | |
| SCHEMBL12027722 | 0.84 | ITK (0.52) | ITKPIP5K1CCHEK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3766877-A1 | INDOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | Japan Tobacco Inc. (JP) | 2021-01-20 | — | — | EP | disclosed |