Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH3 | Q9ULD8 | 4/20 | 0.53 |
| ▸ | SYK | P43405 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.50 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CDK4 | P11802 | 3/20 | 0.48 |
| ▸ | CCND1 | P24385 | 3/20 | 0.48 |
| ▸ | CCND2 | P30279 | 3/20 | 0.48 |
| ▸ | CCND3 | P30281 | 3/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | BRAF | P15056 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MET | P08581 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 3/20 | 0.44 |
| ▸ | CASP1 | P29466 | 3/20 | 0.44 |
| ▸ | CASP7 | P55210 | 3/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28387521 | 0.81 | MEN1 (0.51) | KCNH3SYKCYP1A2MAPK1CDK4 | |
| SCHEMBL18434119 | 0.79 | SYK (0.48) | SYKCYP1A2CLK4LMNAMAPK1 | |
| SCHEMBL31688432 | 0.78 | BRAF (0.52) | KCNH3SYKCDK4CCND1CCND2 | |
| SCHEMBL15145210 | 0.77 | KMT2A (0.48) | KCNH3SYKCYP1A2CLK4LMNA | |
| Glymidine SCHEMBL34389 | 0.76 | TDP1 (0.56) | LMNAMAPK1TSHRMEN1KMT2A | |
| SCHEMBL29575809 | 0.76 | BRAF (0.65) | SYKCYP1A2CLK4LMNAMAPK1 | |
| SCHEMBL31498412 | 0.75 | MAPT (0.50) | KCNH3LMNAMAPK1TSHRMEN1 | |
| Glymidine SCHEMBL27852481 | 0.75 | TDP1 (0.55) | LMNAMAPK1TSHRMEN1KMT2A | |
| Glymidine SCHEMBL209818 | 0.75 | TDP1 (0.55) | LMNAMAPK1TSHRMEN1KMT2A | |
| SCHEMBL19624911 | 0.74 | BRAF (0.51) | KCNH3SYKCDK4CCND1CCND2 |
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-2688870-B1 | HETEROCYCLIC AMINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2017-02-01 | — | — | EP | disclosed |