Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | TLR4 | O00206 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | LSS | P48449 | 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 | |
|---|---|---|---|---|
| SCHEMBL7794135 | 1.00 | CYP1A2 (0.38) | CYP1A2TLR4LMNAMAPK1HTT | |
| SCHEMBL7794133 | 1.00 | CYP1A2 (0.38) | CYP1A2TLR4LMNAMAPK1HTT | |
| SCHEMBL22300403 | 0.89 | CYP1A2 (0.38) | CYP1A2LMNAMAPK1HTTCYP2D6 | |
| SCHEMBL9314822 | 0.86 | TLR4 (0.36) | CYP1A2TLR4CYP2C9 | |
| SCHEMBL8941536 | 0.86 | TLR4 (0.36) | CYP1A2TLR4CYP2C9 | |
| SCHEMBL9313701 | 0.85 | CYP1A2 (0.42) | CYP1A2LMNAMAPK1HTTCYP2D6 | |
| SCHEMBL17147738 | 0.85 | CYP1A2 (0.42) | CYP1A2LMNAMAPK1HTTCYP2D6 | |
| SCHEMBL9313553 | 0.83 | CYP1A2 (0.41) | CYP1A2LMNAMAPK1HTTCYP2D6 | |
| SCHEMBL9314539 | 0.83 | CYP1A2 (0.41) | CYP1A2LMNAMAPK1HTTCYP2D6 | |
| SCHEMBL9313287 | 0.83 | CYP1A2 (0.41) | CYP1A2LMNAMAPK1HTTCYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1150937-A1 | LIQUID CRYSTALLINE TRIFLUORO-SUBSTITUTED COMPOUNDS | QinetiQ Limited (GB) | 2001-11-07 | — | — | EP | disclosed |
| WO-2000039062-A1 | LIQUID CRYSTALLINE TRIFLUORO-SUBSTITUTED COMPOUNDS | THE SECRETARY OF STATE FOR DEFENCE (GB) | 2000-07-06 | — | — | WO | disclosed |