Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MITF | O75030 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.36 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL20030504 | 0.85 | AAK1 (0.45) | KDM4EGAAALDH1A1AAK1 | |
| SCHEMBL23093793 | 0.81 | CYP1A2 (0.42) | NPC1RAB9AKDM4EMITFTHRB | |
| SCHEMBL5563443 | 0.80 | KDM4E (0.43) | NPC1RAB9AKDM4EMITFTHRB | |
| SCHEMBL3101753 | 0.79 | CA12 (0.38) | AAK1 | |
| SCHEMBL2316733 | 0.78 | AAK1 (0.41) | NPC1RAB9AKDM4EMITFTHRB | |
| SCHEMBL20030320 | 0.77 | KDM4E (0.36) | KDM4ERECQLGAAALDH1A1SMN1; SMN2 | |
| SCHEMBL20030543 | 0.77 | ALDH1A1 (0.35) | RAB9AKDM4ETHRBALDH1A1CYP1A2 | |
| SCHEMBL28626965 | 0.76 | AAK1 (0.46) | NPC1RAB9AGAATDP1ALDH1A1 | |
| SCHEMBL20030319 | 0.76 | — | — | |
| SCHEMBL20030317 | 0.76 | CNR2 (0.39) | RECQLAAK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021047677-A1 | IRAK4 KINASE INHIBITOR AND PREPARATION THEREOF AND USE THEREOF | 中国科学院上海药物研究所 | 2021-03-18 | — | — | WO | disclosed |
| CN-112480101-A | IRAK4 kinase inhibitor and preparation and application thereof | 中国科学院上海药物研究所 | 2021-03-12 | — | — | CN | disclosed |
| WO-2018060174-A1 | SUBSTITUTED BENZIMIDAZOLES, PHARMACEUTICAL PREPARATIONS CONTAINING SAME, AND USE OF SAME TO PRODUCE DRUGS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-04-05 | — | — | WO | disclosed |