Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 5/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL26020473 | 0.89 | GRIN2B (0.47) | GRIN2B | |
| SCHEMBL24136445 | 0.75 | GRIN2B (0.50) | GRIN2B | |
| SCHEMBL22239252 | 0.75 | GRIN2B (0.40) | GRIN2B | |
| SCHEMBL17643340 | 0.74 | GRIN2B (0.47) | GRIN2B | |
| SCHEMBL24136404 | 0.73 | GRIN2B (0.37) | GRIN2B | |
| SCHEMBL24270959 | 0.72 | MEN1 (0.56) | KMT2AMEN1ALDH1A1GRIN2BSMN1; SMN2 | |
| SCHEMBL26021378 | 0.70 | GRIN2B (0.36) | GRIN2BMAPK1 | |
| SCHEMBL24271004 | 0.69 | — | — | |
| SCHEMBL4936082 | 0.69 | MEN1 (0.75) | KMT2AMEN1ALDH1A1CYP1A1CYP1B1 | |
| SCHEMBL6397229 | 0.68 | KMT2A (0.59) | KMT2AMEN1ALDH1A1GRIN2BMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3683207-A1 | N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B | Cadent Therapeutics, Inc. (US) | 2020-07-22 | — | — | EP | disclosed |