Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | TTR | P02766 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | PPARA | Q07869 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL21601440 | 0.87 | AAK1 (0.49) | HPGDCA12CA1CA2CA9 | |
| SCHEMBL21601445 | 0.87 | SCN9A (0.49) | HPGDCA12CA1CA2CA9 | |
| SCHEMBL21601453 | 0.87 | KDM4E (0.54) | HPGDCA12CA1CA2CA9 | |
| SCHEMBL18165160 | 0.86 | CA12 (0.47) | CA12CA1CA2CA9AAK1 | |
| SCHEMBL28350960 | 0.86 | SSTR4 (0.47) | HPGDCA12CA1CA2CA9 | |
| SCHEMBL18544342 | 0.85 | CA12 (0.46) | HPGDCA12CA1CA2CA9 | |
| SCHEMBL18165162 | 0.85 | MGLL (0.53) | HPGDCA12CA1CA2CA9 | |
| SCHEMBL15869790 | 0.83 | ALDH1A1 (0.55) | HPGDCA12CA1CA2CA9 | |
| SCHEMBL21595742 | 0.83 | HPGD (0.63) | HPGDKDM4EALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL18570014 | 0.82 | ALDH1A1 (0.46) | HPGDCA12CA1CA2CA9 |
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 |