Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | METTL3 | Q86U44 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | METTL14 | Q9HCE5 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SCD | O00767 | 1/20 | 0.45 |
| ▸ | CNR1 | P21554 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 1/20 | 0.45 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2057951 | 0.86 | NPC1 (0.43) | NPC1KMT2AKDM4ESMN1; SMN2LMNA | |
| SCHEMBL846337 | 0.78 | TP53 (0.52) | NPC1METTL3KDM4ESMN1; SMN2LMNA | |
| SCHEMBL24784343 | 0.76 | THRB (0.71) | MEN1KMT2AKDM4ESMN1; SMN2LMNA | |
| SCHEMBL24784344 | 0.76 | THRB (0.71) | MEN1KMT2AKDM4ESMN1; SMN2LMNA | |
| SCHEMBL24784345 | 0.76 | THRB (0.71) | MEN1KMT2AKDM4ESMN1; SMN2LMNA | |
| SCHEMBL12294853 | 0.75 | SMN1; SMN2 (0.60) | METTL3KDM4ESMN1; SMN2LMNAPKM | |
| SCHEMBL12295463 | 0.74 | KDM4E (0.78) | NPC1KMT2AKDM4ESMN1; SMN2LMNA | |
| SCHEMBL12294561 | 0.72 | KDM4E (0.58) | KMT2AKDM4ESMN1; SMN2LMNAPKM | |
| SCHEMBL24784374 | 0.72 | MAPK1 (0.60) | NPC1KMT2AKDM4ESMN1; SMN2LMNA | |
| SCHEMBL12295230 | 0.72 | SMN1; SMN2 (0.57) | KMT2AMETTL3KDM4ESMN1; SMN2LMNA |
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-2022266473-A1 | SMALL MOLECULE DISRUPTORS OF PROTEIN INTERACTIONS IN HISTONE DEACETYLASE COMPLEXES | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2022-12-22 | — | — | WO | disclosed |