Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B | P28222 | 4/20 | 0.44 |
| ▸ | HTR1D | P28221 | 2/20 | 0.44 |
| ▸ | HTR1A | P08908 | 3/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.41 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL21595936 | 0.98 | HTR1B (0.43) | HTR1BHTR1DHTR1AADRA1DADRA1A | |
| SCHEMBL21601469 | 0.81 | KDM4E (0.58) | HTR1BHTR1DHTR1AADRA1DADRA1A | |
| SCHEMBL21601405 | 0.79 | TAAR1 (0.48) | HTR1BHTR1AKDM4ETAAR1L3MBTL1 | |
| SCHEMBL21595921 | 0.78 | KMT2A (0.47) | HTR1AADRA1DADRA1AADRA1BALDH1A1 | |
| SCHEMBL21595767 | 0.77 | KMT2A (0.42) | HTR1AKDM4EALDH1A1TAAR1L3MBTL1 | |
| SCHEMBL12129077 | 0.77 | L3MBTL1 (0.47) | HTR1AKDM4EALDH1A1TAAR1L3MBTL1 | |
| SCHEMBL21595822 | 0.76 | TP53 (0.42) | HTR1AKDM4EALDH1A1LMNAMEN1 | |
| SCHEMBL21601400 | 0.75 | SCN9A (0.51) | ALDH1A1LMNAMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL19209996 | 0.73 | TAAR1 (0.41) | HTR1AKDM4EALDH1A1TAAR1SLC6A4 | |
| SCHEMBL6949179 | 0.72 | MEN1 (0.62) | HTR1BHTR1DKDM4EALDH1A1LMNA |
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-2019244066-A2 | PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | VIIV Healthcare UK (No.5) Limited (GB) | 2019-12-26 | — | — | WO | disclosed |