Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P4HB | P07237 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | LPL | P06858 | 1/20 | 0.40 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 6/20 | 0.39 |
| ▸ | CES2 | O00748 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6236165 | 0.79 | LPL (0.42) | P4HBTSHRCYP3A4MAPTLPL | |
| SCHEMBL6236173 | 0.79 | LPL (0.42) | P4HBTSHRCYP3A4MAPTLPL | |
| SCHEMBL6236171 | 0.79 | LPL (0.42) | P4HBTSHRCYP3A4MAPTLPL | |
| SCHEMBL3555946 | 0.76 | LPL (0.40) | P4HBMAPTLPLLIPGALDH1A1 | |
| SCHEMBL5704180 | 0.76 | P4HB (0.45) | P4HBTSHRTDP1CYP3A4MAPT | |
| SCHEMBL5704185 | 0.76 | P4HB (0.45) | P4HBTSHRTDP1CYP3A4MAPT | |
| SCHEMBL6236708 | 0.75 | P4HB (0.46) | P4HBTSHRTDP1CYP3A4MAPT | |
| SCHEMBL6236713 | 0.75 | P4HB (0.46) | P4HBTSHRTDP1CYP3A4MAPT | |
| SCHEMBL6236711 | 0.75 | P4HB (0.46) | P4HBTSHRTDP1CYP3A4MAPT | |
| SCHEMBL18920424 | 0.74 | LPL (0.39) | P4HBTSHRHSD17B10LPLLIPG |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012045194-A1 | BENZODIAZEPINONES AS FAK INHIBITORS FOR TREATMENT OF CANCER | ABBOTT LABORATORIES (US) | 2012-04-12 | — | — | WO | disclosed |