Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 9/20 | 0.63 |
| ▸ | CYP1A1 | P04798 | 8/20 | 0.63 |
| ▸ | CYP1B1 | Q16678 | 8/20 | 0.63 |
| ▸ | PRKDC | P78527 | 1/20 | 0.63 |
| ▸ | GABRP | O00591 | 7/20 | 0.59 |
| ▸ | GABRD | O14764 | 7/20 | 0.59 |
| ▸ | GABRA1 | P14867 | 7/20 | 0.59 |
| ▸ | GABRB1 | P18505 | 7/20 | 0.59 |
| ▸ | GABRG2 | P18507 | 7/20 | 0.59 |
| ▸ | GABRB3 | P28472 | 7/20 | 0.59 |
| ▸ | GABRA5 | P31644 | 7/20 | 0.59 |
| ▸ | GABRA3 | P34903 | 7/20 | 0.59 |
| ▸ | GABRA2 | P47869 | 7/20 | 0.59 |
| ▸ | GABRB2 | P47870 | 7/20 | 0.59 |
| ▸ | GABRA4 | P48169 | 7/20 | 0.59 |
| ▸ | GABRE | P78334 | 7/20 | 0.59 |
| ▸ | GABRA6 | Q16445 | 7/20 | 0.59 |
| ▸ | GABRG1 | Q8N1C3 | 7/20 | 0.59 |
| ▸ | GABRG3 | Q99928 | 7/20 | 0.59 |
| ▸ | GABRQ | Q9UN88 | 7/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL9329978 | 0.84 | CYP1A2 (0.59) | CYP1A2CYP1A1CYP1B1PRKDCGABRP | |
| SCHEMBL9328614 | 0.84 | CYP1A2 (0.59) | CYP1A2CYP1A1CYP1B1PRKDCGABRP | |
| SCHEMBL9328540 | 0.80 | CYP1A1 (0.67) | CYP1A2CYP1A1CYP1B1PRKDCGABRP | |
| SCHEMBL31061033 | 0.77 | CYP1A1 (1.00) | CYP1A2CYP1A1CYP1B1PRKDCGABRP | |
| SCHEMBL6617302 | 0.75 | TERT (0.76) | CYP1A2CYP1A1CYP1B1PRKDCGABRP | |
| SCHEMBL8532 | 0.75 | GABRP (1.00) | CYP1A2CYP1A1CYP1B1PRKDCGABRP | |
| SCHEMBL9327677 | 0.74 | CYP2D6 (0.53) | CYP1A2CYP1A1CYP1B1PRKDCGABRP | |
| SCHEMBL9331009 | 0.74 | AURKA (0.51) | CYP1A2CYP1A1CYP1B1PRKDCGABRP | |
| SCHEMBL29307653 | 0.73 | CYP1A2 (0.63) | CYP1A2CYP1A1CYP1B1PRKDCGABRP | |
| SCHEMBL9160788 | 0.73 | CYP1A2 (0.40) | CYP1A2CYP1A1CYP1B1PRKDCCYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0454728-B1 | FLUORINATED FLAVONE ACETIC ACID | UPJOHN CO (US) | 1994-03-16 | — | — | EP | disclosed |
| US-5238954-A | Antitumor agents | THE UPJOHN COMPANY (US) | 1993-08-24 | — | — | US | disclosed |
| EP-0454728-A1 | FLUORINATED FLAVONE ACETIC ACID. | UPJOHN CO (US) | 1991-11-06 | — | — | EP | disclosed |
| WO-1990008143-A1 | FLUORINATED FLAVONE ACETIC ACID | THE UPJOHN COMPANY (US) | 1990-07-26 | — | — | WO | disclosed |