Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | ATR | Q13535 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | XPO1 | O14980 | 1/20 | 0.30 |
| ▸ | KMO | O15229 | 1/20 | 0.30 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25253608 | 0.81 | CYP3A4 (0.40) | ALDH1A1POLBPIK3CDATRNPC1 | |
| SCHEMBL21543486 | 0.75 | PIK3CD (0.45) | POLBPIK3CDNOS3NOS2GAA | |
| SCHEMBL29460079 | 0.75 | PIK3CD (0.45) | POLBPIK3CDNOS3NOS2GAA | |
| SCHEMBL4371682 | 0.74 | ALDH1A1 (0.36) | ALDH1A1POLBTDP1L3MBTL1PIK3CD | |
| SCHEMBL364870 | 0.74 | P2RX7 (0.36) | POLBPIK3CDNOS3NOS2NPC1 | |
| SCHEMBL29460067 | 0.72 | PIK3CD (0.35) | POLBTDP1PIK3CDNOS3NOS2 | |
| SCHEMBL10387512 | 0.72 | PIK3CD (0.35) | ALDH1A1POLBTDP1PIK3CDNOS3 | |
| SCHEMBL1961605 | 0.72 | PIK3CD (0.35) | POLBTDP1PIK3CDNOS3NOS2 | |
| SCHEMBL21598657 | 0.71 | KMO (0.35) | PIK3CDNOS3NOS2KMO | |
| SCHEMBL5030111 | 0.71 | PIK3CD (0.34) | ALDH1A1TDP1L3MBTL1PIK3CDNOS3 |
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 |
|---|---|---|---|---|---|---|---|
| US-RE37495-E1 | Substituted 1-arylpyrazoles | BAYER AKTIENGESELLSCHAFT (DE) | 2002-01-01 | — | — | US | disclosed |
| US-5580843-A | INSECTICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1996-12-03 | — | — | US | disclosed |