Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 4/20 | 0.45 |
| ▸ | PPARG | P37231 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | SRC | P12931 | 1/20 | 0.42 |
| ▸ | ELANE | P08246 | 4/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL1051272 | 0.86 | ALDH1A1 (0.44) | ALDH1A1CYP3A4PPARAPPARGELANE | |
| SCHEMBL1051276 | 0.86 | ALDH1A1 (0.44) | ALDH1A1CYP3A4PPARAPPARGELANE | |
| SCHEMBL31359578 | 0.84 | ALDH1A1 (0.68) | ALDH1A1CYP3A4ELANEL3MBTL1LMNA | |
| SCHEMBL4591292 | 0.81 | ALDH1A1 (0.42) | ALDH1A1CYP3A4PPARAPPARGCYP2D6 | |
| SCHEMBL11791096 | 0.81 | ALDH1A1 (0.42) | ALDH1A1CYP3A4PPARAPPARGCYP2D6 | |
| SCHEMBL18206556 | 0.80 | ALDH1A1 (0.45) | ALDH1A1CYP3A4PPARAPPARGCYP2D6 | |
| SCHEMBL18206009 | 0.80 | ALDH1A1 (0.45) | ALDH1A1CYP3A4PPARAPPARGCYP2D6 | |
| SCHEMBL11796175 | 0.80 | ALDH1A1 (0.45) | ALDH1A1CYP3A4PPARAPPARGCYP2D6 | |
| SCHEMBL2609246 | 0.79 | HCAR2 (0.54) | ALDH1A1CYP3A4ELANEATML3MBTL1 | |
| SCHEMBL11419920 | 0.79 | ELANE (0.44) | ALDH1A1CYP3A4CYP2D6SRCELANE |
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 |
|---|---|---|---|---|---|---|---|
| US-6380388-B1 | ACTIVITY AGAINST RETROVIRUSES SUCH AS HUMAN IMMUNODEFICIENCY VIRUS (HIV), HEPATITIS B VIRUS (HBV), AND HUMAN T-LYMPHOTROPIC VIRUS | BRANTFORD CHEMICALS INC. (CA) | 2002-04-30 | — | — | US | claimed |