Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8010699 | 1.00 | MCL1 (0.43) | MCL1LMNATSHRNFKB1PMP22 | |
| SCHEMBL27987764 | 0.89 | KMT2A (0.54) | TSHRMAPTKMT2AALDH1A1HAO1 | |
| SCHEMBL11247459 | 0.89 | KMT2A (0.54) | TSHRMAPTKMT2AALDH1A1HAO1 | |
| SCHEMBL28525468 | 0.89 | KMT2A (0.54) | TSHRMAPTKMT2AALDH1A1HAO1 | |
| SCHEMBL8007919 | 0.89 | MCL1 (0.39) | MCL1TSHRMAPTKMT2AALDH1A1 | |
| SCHEMBL5462822 | 0.89 | KMT2A (0.54) | TSHRMAPTKMT2AALDH1A1HAO1 | |
| SCHEMBL24411596 | 0.85 | MCL1 (0.37) | MCL1 | |
| SCHEMBL3708578 | 0.85 | KMT2A (0.50) | TSHRMAPTKMT2AALDH1A1HAO1 | |
| SCHEMBL3899647 | 0.82 | — | — | |
| SCHEMBL9755826 | 0.82 | SLC22A6 (0.52) | MCL1LMNATSHRNFKB1PMP22 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000032671-A1 | PROCESS FOR THE PRODUCTION OF DIKETO DINITRILES AND POLYMERS DERIVED THEREFROM | COGNIS CORPORATION (US) | 2000-06-08 | — | — | WO | disclosed |
| US-6048958-A | REACTION OF DIESTER WITH NITRILE TO FORM ALKALI METAL SALT AND ACIDIFICATION | HENKEL CORPORATION (US) | 2000-04-11 | — | — | US | disclosed |