Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | JMJD6 | Q6NYC1 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL24915026 | 0.88 | CYP1A2 (0.47) | CYP1A2KDM4EPOLBJMJD6MAPK1 | |
| SCHEMBL1058997 | 0.83 | CYP1A2 (0.49) | CYP1A2KDM4EPOLBJMJD6MAPK1 | |
| SCHEMBL29052704 | 0.78 | ALDH1A1 (0.32) | NPC1RAB9AALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL22125629 | 0.77 | CYP1A2 (0.43) | CYP1A2KDM4EPOLBJMJD6MAPK1 | |
| SCHEMBL29224345 | 0.77 | ALDH1A1 (0.49) | CYP1A2KDM4EPOLBMAPK1CA12 | |
| SCHEMBL6444656 | 0.77 | CYP1A2 (0.45) | CYP1A2KDM4EPOLBJMJD6NPC1 | |
| SCHEMBL10436784 | 0.76 | KMT2A (0.56) | CYP1A2KDM4EPOLBJMJD6MAPK1 | |
| SCHEMBL23234117 | 0.76 | CYP1A2 (0.53) | CYP1A2KDM4EMAPK1NPC1RAB9A | |
| SCHEMBL10817921 | 0.76 | TSHR (0.60) | CYP1A2KDM4EPOLBJMJD6MAPK1 | |
| SCHEMBL29005141 | 0.76 | SMN1; SMN2 (0.36) | KDM4EPOLBTSHRSMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117881661-A | Condensed heterocyclic derivative | 杨森科学爱尔兰无限公司 | 2024-04-12 | — | — | CN | disclosed |
| CN-117715909-A | Condensed heterocyclic derivative | 杨森科学爱尔兰无限公司 | 2024-03-15 | — | — | CN | disclosed |
| CN-116134018-A | 2-oxoimidazolidine-4-carboxamide as NAV1.8 inhibitor | 默沙东有限责任公司 | 2023-05-16 | — | — | CN | disclosed |