Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CASP1 | P29466 | 2/20 | 0.34 |
| ▸ | CASP7 | P55210 | 2/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.33 |
| ▸ | BRD4 | O60885 | 2/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
| ▸ | MET | P08581 | 1/20 | 0.31 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HTR3A | P46098 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL19906158 | 0.90 | KDM4E (0.34) | USP2CYP1A2CYP3A4CASP1CASP7 | |
| SCHEMBL31114924 | 0.81 | MEN1 (0.34) | ALDH1A1HRH4BRD4MCHR1MEN1 | |
| SCHEMBL20101207 | 0.81 | MEN1 (0.34) | ALDH1A1HRH4BRD4MCHR1MEN1 | |
| SCHEMBL15342181 | 0.80 | — | — | |
| SCHEMBL22506323 | 0.80 | PSIP1 (0.36) | CYP3A4BRD4KCNH2 | |
| SCHEMBL15342590 | 0.80 | PSIP1 (0.36) | CYP3A4BRD4KCNH2 | |
| SCHEMBL19906155 | 0.79 | EIF4EBP1 (0.34) | HRH4MCHR1MEN1MAPK10KMT2A | |
| SCHEMBL20030685 | 0.77 | KDM4E (0.33) | ALDH1A1MCHR1MEN1KMT2AKDM4E | |
| SCHEMBL19905935 | 0.74 | KDM4E (0.34) | ALDH1A1BRD4MEN1KMT2AKDM4E | |
| SCHEMBL20030734 | 0.74 | KDM4E (0.36) | CYP1A2HSD17B10ALDH1A1BRD4MEN1 |
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-2018064080-A1 | BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING HIV INFECTION | GILEAD SCIENCES, INC. (US) | 2018-04-05 | — | — | WO | disclosed |