Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 2/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.38 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19475076 | 0.88 | SYK (0.42) | MEN1KMT2ACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL19474957 | 0.75 | POLB (0.48) | POLBMEN1KMT2ACYP3A4CYP2C9 | |
| SCHEMBL28998282 | 0.72 | SYK (0.43) | POLBSYKLMNAKDM4EALDH1A1 | |
| SCHEMBL30285223 | 0.71 | POLB (0.40) | POLBLMNAHTTKDM4EALDH1A1 | |
| SCHEMBL19513124 | 0.71 | POLB (0.40) | POLBLMNAHTTKDM4EALDH1A1 | |
| SCHEMBL12265795 | 0.67 | POLB (0.51) | POLBKMT2ACYP2C19SMN1; SMN2KDM4E | |
| SCHEMBL26128688 | 0.66 | SMN1; SMN2 (0.52) | MEN1KMT2ACYP3A4CYP2C19SMN1; SMN2 | |
| SCHEMBL20914375 | 0.65 | RAB9A (0.54) | MEN1KMT2ACYP2C9CYP2C19HTT | |
| SCHEMBL27718450 | 0.65 | KCNA5 (0.47) | MEN1KMT2ASMN1; SMN2KDM4ECYP1A2 | |
| SCHEMBL3443470 | 0.64 | LMNA (0.44) | POLBKMT2ASMN1; SMN2SYKAURKB |
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 |