Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | CES1 | P23141 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.50 |
| ▸ | AKT1 | P31749 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.44 |
| ▸ | RECQL | P46063 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7361299 | 1.00 | NFE2L2 (0.57) | NFE2L2ALDH1A1CES1MEN1KMT2A | |
| SCHEMBL12900918 | 1.00 | NFE2L2 (0.57) | NFE2L2ALDH1A1CES1MEN1KMT2A | |
| SCHEMBL23978379 | 0.88 | NFE2L2 (0.57) | NFE2L2ALDH1A1CES1MEN1KMT2A | |
| SCHEMBL29116567 | 0.83 | NFE2L2 (0.57) | NFE2L2ALDH1A1CES1MEN1KMT2A | |
| SCHEMBL2704264 | 0.82 | ALDH1A1 (0.59) | ALDH1A1CES1MEN1KMT2AMAOB | |
| SCHEMBL5308087 | 0.82 | CYP1B1 (0.46) | ALDH1A1CES1MEN1KMT2ATDP1 | |
| SCHEMBL6029412 | 0.82 | NR4A1 (0.54) | CES1MAOBCYP1B1CYP1A1CES2 | |
| SCHEMBL2704266 | 0.82 | ALDH1A1 (0.59) | ALDH1A1CES1MEN1KMT2AMAOB | |
| SCHEMBL25341875 | 0.82 | PLOD2 (0.47) | NFE2L2ALDH1A1MEN1KMT2AMAPK1 | |
| SCHEMBL5308090 | 0.82 | CYP1B1 (0.46) | ALDH1A1CES1MEN1KMT2ATDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4521422-A | ANTICONVULSANT, ANTIEPILEPTIC AGENTS, SEDATIVES, MUSCLE RELAXANTS | AMERICAN CYANAMID COMPANY (US) | 1985-06-04 | — | — | US | disclosed |
| EP-0129847-A2 | Aryl and heteroaryl[7-(aryl and heteroaryl)-pyrazolo-[1,5-a]-pyrimidin-3-yl]methanones | AMERICAN CYANAMID COMPANY (US) | 1985-01-02 | — | — | EP | disclosed |