Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.55 |
| ▸ | PPARG | P37231 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | ATM | Q13315 | 2/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16585199 | 0.89 | KDM4E (0.58) | KDM4EALDH1A1TDP1LMNAMAPT | |
| SCHEMBL21601484 | 0.89 | MAPK1 (0.51) | KDM4EALDH1A1TDP1LMNAMAPT | |
| SCHEMBL21601539 | 0.87 | KDM4E (0.48) | KDM4EPPARGALDH1A1TDP1L3MBTL1 | |
| SCHEMBL4015052 | 0.86 | PDK2 (0.43) | KDM4EALDH1A1TDP1LMNAMAPT | |
| SCHEMBL14431424 | 0.85 | PDK2 (0.43) | KDM4EPPARGALDH1A1TDP1RAB9A | |
| SCHEMBL29607100 | 0.84 | PDK2 (0.41) | KDM4EALDH1A1TDP1LMNAMAPT | |
| SCHEMBL21595952 | 0.83 | KDM4E (0.68) | KDM4EPPARGALDH1A1TDP1LMNA | |
| SCHEMBL4009169 | 0.82 | RAB9A (0.55) | ALDH1A1TDP1LMNAMAPTRAB9A | |
| SCHEMBL13642361 | 0.80 | RAB9A (0.51) | KDM4EALDH1A1TDP1LMNARAB9A | |
| SCHEMBL24553508 | 0.80 | PDK2 (0.39) | KDM4EPDK2MAPK1GAAMEN1 |
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 |