Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.37 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11832855 | 1.00 | CYP3A4 (0.46) | CYP3A4MAPTCYP2C9TDP1PTPN1 | |
| SCHEMBL11850331 | 0.86 | PTPN1 (0.38) | CYP3A4MAPTCYP2C9TDP1PTPN1 | |
| SCHEMBL11851890 | 0.84 | CYP3A4 (0.55) | CYP3A4MAPTCYP2C9TDP1CACNA1B | |
| SCHEMBL11851893 | 0.84 | CYP3A4 (0.55) | CYP3A4MAPTCYP2C9TDP1CACNA1B | |
| SCHEMBL7544646 | 0.81 | ALDH1A1 (0.39) | CYP3A4MAPTTDP1PTPN1BLM | |
| SCHEMBL7544647 | 0.81 | ALDH1A1 (0.39) | CYP3A4MAPTTDP1PTPN1BLM | |
| SCHEMBL11850333 | 0.81 | PTPN1 (0.35) | CYP3A4MAPTCYP2C9TDP1PTPN1 | |
| SCHEMBL11845237 | 0.80 | ZDHHC20 (0.38) | CYP3A4CYP2C9TDP1PTPN1BLM | |
| SCHEMBL11845229 | 0.80 | ZDHHC20 (0.38) | CYP3A4CYP2C9TDP1PTPN1BLM | |
| SCHEMBL11840643 | 0.77 | LMNA (0.36) | CYP3A4TDP1PTPN1LMNAMEN1 |
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-3966780-A | PESTICIDES, INSECTICIDES | HOFFMANN-LA ROCHE INC. (US) | 1976-06-29 | — | — | US | disclosed |