Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.48 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | DHFR | P00374 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | HTR1B | P28222 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2252697 | 0.87 | S1PR4 (0.49) | S1PR4CSNK2A1DHFRRAB9ANPC1 | |
| SCHEMBL8959114 | 0.85 | HTR2A (0.47) | SMN1; SMN2GLASLC6A4 | |
| SCHEMBL8959084 | 0.84 | PPARA (0.56) | SMN1; SMN2GLA | |
| SCHEMBL11669016 | 0.83 | S1PR4 (0.49) | S1PR4CSNK2A1SMN1; SMN2DHFRRAB9A | |
| SCHEMBL29546953 | 0.82 | KDM4E (0.54) | KDM4EDHFRRAB9APARP1PARP3 | |
| SCHEMBL21601494 | 0.82 | KDM4E (0.54) | KDM4EDHFRRAB9APARP1PARP3 | |
| SCHEMBL10359829 | 0.81 | S1PR4 (0.48) | S1PR4DHFRRAB9ANPC1SLC6A2 | |
| SCHEMBL3453883 | 0.81 | S1PR4 (0.54) | S1PR4CSNK2A1RAB9ANPC1MAPT | |
| Hydrochloric Acid SCHEMBL7425078 | 0.81 | KDM4E (0.57) | KDM4ESMN1; SMN2RAB9APARP1PARP3 | |
| SCHEMBL8959126 | 0.80 | PPARA (0.48) | SMN1; SMN2GLASLC6A4 |
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 2 patents. 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 |
| 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 |