Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.51 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CCNC | P24863 | 4/20 | 0.44 |
| ▸ | CDK8 | P49336 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28849409 | 0.85 | PTGER1 (0.51) | SLC6A2SLC6A4SLC6A3HDAC4HDAC2 | |
| SCHEMBL29026760 | 0.83 | HSD17B1 (0.50) | CYP1A2ESR2ESR1ACMSD | |
| SCHEMBL11018452 | 0.81 | TRPA1 (0.58) | SLC6A2SLC6A4SLC6A3HDAC4HDAC2 | |
| SCHEMBL5048474 | 0.80 | KMT2A (0.53) | SLC6A2SLC6A4SMN1; SMN2KMT2ABACE1 | |
| SCHEMBL27457156 | 0.79 | KMT2A (0.56) | SLC6A2SLC6A4HDAC2SMN1; SMN2MEN1 | |
| SCHEMBL5045725 | 0.78 | FFAR1 (0.47) | KDM4EHPGDSMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL477558 | 0.78 | GSTP1 (0.52) | SLC6A2SLC6A4SLC6A3HDAC4HDAC2 | |
| SCHEMBL28501476 | 0.77 | ESR1 (0.52) | KDM4EHPGDSMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL3158742 | 0.76 | PTGER1 (0.56) | SLC6A2SLC6A4SLC6A3HDAC4HDAC2 | |
| SCHEMBL28653822 | 0.75 | SLC6A2 (0.64) | SLC6A2SLC6A4SLC6A3HDAC4HDAC2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1885669-A1 | NUCLEOPHILIC HETEROCYCLIC CARBENE DERIVATIVES OF PD(ACAC)2 FOR CROSS-COUPLING REACTIONS | Promerus LLC (US) | 2008-02-13 | — | — | EP | claimed |
| WO-2006128097-A1 | NUCLEOPHILIC HETEROCYCLIC CARBENE DERIVATIVES OF PD(ACAC)2 FOR CROSS-COUPLING REACTIONS | PROMERUS LLC (US) | 2006-11-30 | — | — | WO | claimed |
| EP-1885669-A1 | NUCLEOPHILIC HETEROCYCLIC CARBENE DERIVATIVES OF PD(ACAC)2 FOR CROSS-COUPLING REACTIONS | Promerus LLC (US) | 2008-02-13 | — | — | EP | disclosed |
| WO-2006128097-A1 | NUCLEOPHILIC HETEROCYCLIC CARBENE DERIVATIVES OF PD(ACAC)2 FOR CROSS-COUPLING REACTIONS | PROMERUS LLC (US) | 2006-11-30 | — | — | WO | disclosed |