Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | HTR1D | P28221 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MLNR | O43193 | 1/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8333360 | 0.85 | CYP1A2 (0.46) | CYP1A2HTR1AHTR2AKCNH2HTR1D | |
| SCHEMBL10326175 | 0.84 | HTR1A (0.50) | CYP1A2HTR1AHTR2AKCNH2HTR1D | |
| SCHEMBL10326397 | 0.84 | HTR1A (0.50) | CYP1A2HTR1AHTR2AKCNH2HTR1D | |
| SCHEMBL8562869 | 0.84 | HTR1A (0.50) | CYP1A2HTR1AHTR2AKCNH2HTR1D | |
| SCHEMBL7961057 | 0.83 | CYP1A2 (0.48) | CYP1A2HTR1AHTR2AKCNH2HTR1D | |
| SCHEMBL4454573 | 0.83 | CYP1A2 (0.48) | CYP1A2HTR1AHTR2AKCNH2HTR1D | |
| SCHEMBL5683177 | 0.83 | CYP1A2 (0.48) | CYP1A2HTR1AHTR2AKCNH2HTR1D | |
| Hydrochloric Acid SCHEMBL11144978 | 0.82 | HTR1A (0.49) | CYP1A2HTR1AHTR2AKCNH2HTR1D | |
| SCHEMBL27980795 | 0.81 | CXCR4 (0.51) | CYP1A2HTR1AHTR2AKCNH2HTR1D | |
| SCHEMBL18183309 | 0.80 | HTR1A (0.40) | CYP1A2HTR1AHTR2AKCNH2HTR1D |
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-2024175450-A1 | SUBSTITUTED S-ALANINATE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 2024-08-29 | — | — | WO | disclosed |