Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 2/20 | 0.33 |
| ▸ | RXRB | P28702 | 2/20 | 0.33 |
| ▸ | RXRG | P48443 | 2/20 | 0.33 |
| ▸ | RARA | P10276 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30503395 | 0.75 | CYP1A2 (0.36) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL7735423 | 0.74 | ADRA2A (0.38) | — | |
| SCHEMBL6899796 | 0.74 | CYP1A2 (0.35) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL24359494 | 0.73 | EGFR (0.39) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL79258 | 0.73 | CA2 (0.36) | TSHR | |
| Lithium SCHEMBL29601477 | 0.72 | EGFR (0.38) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL78216 | 0.71 | SMN1; SMN2 (0.38) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3326157 | 0.71 | ATM (0.40) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL13773460 | 0.69 | PDE4B (0.49) | RXRARXRB | |
| SCHEMBL8038356 | 0.68 | MAPT (0.39) | CYP1A2TSHRCYP2C19RXRARXRB |
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-6828269-B2 | Chromium compound,aryloxy compound of a magnesium, calcium, strontium and barium; hydrocarbylaluminum and aluminoxane compounds | INSTITUT FRANCAIS DU PETROLE (FR) | 2004-12-07 | — | — | US | disclosed |
| US-20010023281-A1 | Catalytic composition and a process for oligomerizing ethylene, in particular to 1-hexene | INSTITUT FRANCAIS DU PETROLE (FR) | 2001-09-20 | — | — | US | disclosed |