Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 8/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | PRKDC | P78527 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KMO | O15229 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19475147 | 0.86 | AKR1C3 (0.51) | MAPTKDM4EAKR1C3TSHRPKM | |
| SCHEMBL19475042 | 0.83 | HPGD (0.41) | LMNAMAPTKDM4EAKR1C3GAA | |
| SCHEMBL3914229 | 0.82 | AKR1C3 (0.51) | LMNAMAPTKDM4EAKR1C3CYP1A2 | |
| SCHEMBL28273891 | 0.80 | LMNA (0.48) | LMNAMAPTKDM4EAKR1C3CYP1A2 | |
| SCHEMBL15546841 | 0.79 | KMO (0.57) | LMNAMAPTKDM4EAKR1C3GAA | |
| SCHEMBL14032316 | 0.79 | PRKDC (0.52) | LMNAMAPTKDM4EAKR1C3CYP1A2 | |
| SCHEMBL12865168 | 0.78 | LMNA (0.57) | LMNAMAPTKDM4EAKR1C3GAA | |
| SCHEMBL27922475 | 0.78 | KDM4E (0.52) | MAPTKDM4EAKR1C3CYP1A2CYP2C9 | |
| SCHEMBL29175944 | 0.76 | ALDH1A1 (0.51) | LMNAMAPTAKR1C3CYP1A2CYP2C9 | |
| SCHEMBL19007325 | 0.76 | LMNA (0.66) | LMNAMAPTKDM4EAKR1C3CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017184589-A1 | A VERSATILE LIGAND FOR PALLADIUM-CATALYZED META-C-H FUNCTIONALIZATIONS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2017-10-26 | — | — | WO | disclosed |