Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | GSTP1 | P09211 | 2/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22797551 | 1.00 | ALDH1A1 (0.34) | ALDH1A1MEN1KMT2ABCHEGSTP1 | |
| SCHEMBL22798485 | 0.88 | OPRM1 (0.35) | ALDH1A1MEN1KMT2ABCHEGSTP1 | |
| SCHEMBL22799896 | 0.83 | ALDH1A1 (0.53) | ALDH1A1KMT2ABCHECHRNB2CHRNA4 | |
| SCHEMBL22799523 | 0.83 | ALDH1A1 (0.53) | ALDH1A1KMT2ABCHECHRNB2CHRNA4 | |
| SCHEMBL18671589 | 0.81 | ALDH1A1 (0.38) | ALDH1A1MEN1KMT2ABCHEGSTP1 | |
| SCHEMBL22797533 | 0.81 | OPRM1 (0.36) | ALDH1A1MEN1KMT2ABCHEGSTP1 | |
| SCHEMBL22797519 | 0.81 | OPRM1 (0.36) | ALDH1A1MEN1KMT2ABCHEGSTP1 | |
| SCHEMBL22798838 | 0.81 | ALDH1A1 (0.38) | ALDH1A1MEN1KMT2ABCHEGSTP1 | |
| SCHEMBL22797481 | 0.81 | ALDH1A1 (0.38) | ALDH1A1MEN1KMT2ABCHEGSTP1 | |
| SCHEMBL24673828 | 0.79 | ALDH1A1 (0.32) | ALDH1A1 |
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-2020249663-A1 | NOVEL SPIROBICYCLIC INTERMEDIATES | JANSSEN PHARMACEUTICA NV (BE) | 2020-12-17 | — | — | WO | disclosed |