Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 1/20 | 0.46 |
| ▸ | FYN | P06241 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.43 |
| ▸ | MYC | P01106 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.42 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL23604246 | 0.93 | LCK (0.50) | LCKFYNALDH1A1HTTNPC1 | |
| SCHEMBL2818164 | 0.86 | LCK (0.60) | LCKFYNALDH1A1HTTNPC1 | |
| SCHEMBL7178003 | 0.85 | ALDH1A1 (0.51) | LCKFYNALDH1A1HTTNPC1 | |
| SCHEMBL2107114 | 0.85 | HTT (0.47) | ALDH1A1HTTNPC1RAB9AKDM4E | |
| SCHEMBL2730020 | 0.85 | ALDH1A1 (0.49) | LCKFYNALDH1A1HTTNPC1 | |
| SCHEMBL13596372 | 0.82 | ALDH1A1 (0.56) | LCKFYNALDH1A1HTTNPC1 | |
| SCHEMBL2139729 | 0.82 | LCK (0.50) | LCKFYNALDH1A1HTTNPC1 | |
| SCHEMBL13434225 | 0.81 | MAPT (0.50) | LCKFYNALDH1A1HTTNPC1 | |
| SCHEMBL11310945 | 0.81 | LCK (0.58) | LCKFYNALDH1A1KDM4EHPGD | |
| SCHEMBL10979402 | 0.81 | LCK (0.53) | LCKFYNALDH1A1HTTNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023132369-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT | 中外製薬株式会社 | 2023-07-13 | — | — | WO | disclosed |
| CN-103864719-A | Gefitinib intermediate | TIANJIN JINYAO GROUP CO LTD | 2014-06-18 | — | — | CN | disclosed |