Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 3/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CRHBP | P24387 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29892197 | 0.91 | ALDH1A1 (0.40) | ALDH1A1DUSP3MEN1KMT2ACYP1A2 | |
| SCHEMBL8783916 | 0.91 | ALDH1A1 (0.40) | ALDH1A1DUSP3MEN1KMT2ACYP1A2 | |
| SCHEMBL20232133 | 0.88 | ALDH1A1 (0.38) | ALDH1A1DUSP3MEN1KMT2AKDM4E | |
| SCHEMBL18374575 | 0.85 | ALDH1A1 (0.38) | ALDH1A1DUSP3MEN1KMT2AKDM4E | |
| SCHEMBL20687366 | 0.84 | PDK2 (0.38) | PDK2IDO1TDO2IDO2ALDH1A1 | |
| SCHEMBL19684072 | 0.82 | KDM4E (0.36) | ALDH1A1DUSP3MEN1KMT2AKDM4E | |
| SCHEMBL21138936 | 0.81 | ALDH1A1 (0.33) | ALDH1A1DUSP3KDM4EATML3MBTL1 | |
| SCHEMBL15840180 | 0.81 | DUSP3 (0.39) | IDO1ALDH1A1DUSP3KDM4EATM | |
| SCHEMBL25044081 | 0.80 | PDK2 (0.45) | PDK2ALDH1A1DUSP3MEN1KMT2A | |
| SCHEMBL20374288 | 0.80 | KDM4E (0.36) | ALDH1A1DUSP3KDM4EATML3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019164341-A1 | SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | 주식회사 엘지화학 | 2019-08-29 | — | — | WO | disclosed |