Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.34 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.34 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.32 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.32 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.32 |
| ▸ | CCR4 | P51679 | 1/20 | 0.32 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28514928 | 0.88 | CCR4 (0.39) | SMN1; SMN2CCR4 | |
| SCHEMBL28509497 | 0.84 | ALDH1A1 (0.38) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL28502237 | 0.83 | ALDH1A1 (0.37) | ALDH1A1 | |
| SCHEMBL26702882 | 0.81 | FGFR3 (0.45) | ALDH1A1HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL28504440 | 0.81 | CCR4 (0.39) | ALDH1A1KDM4EHTTCCR4 | |
| SCHEMBL28502430 | 0.80 | CCR4 (0.36) | ALDH1A1HTR1AKDM4ECCR4 | |
| SCHEMBL28503601 | 0.77 | ALDH1A1 (0.41) | ALDH1A1HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL15375421 | 0.77 | ALDH1A1 (0.44) | ALDH1A1KDM4E | |
| SCHEMBL16826628 | 0.74 | ALDH1A1 (0.40) | ALDH1A1ACVR1TRPV6 | |
| SCHEMBL19099105 | 0.73 | MEN1 (0.38) | ALDH1A1KDM4ESMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112243439-A | Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof | 百济神州有限公司 | 2021-01-19 | — | — | CN | disclosed |