Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 2/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.40 |
| ▸ | AURKA | O14965 | 3/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.36 |
| ▸ | PIK3C2G | O75747 | 2/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MAPK7 | Q13164 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.34 |
| ▸ | PLK4 | O00444 | 2/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.34 |
| ▸ | AURKC | Q9UQB9 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9103407 | 0.85 | PIK3CD (0.38) | NR1H2NR1H3AURKAAURKBPIK3CD | |
| SCHEMBL9101244 | 0.81 | CASP1 (0.45) | NR1H2NR1H3AURKAAURKBPIK3CD | |
| SCHEMBL9101978 | 0.80 | MAPT (0.53) | MAPTLMNASMN1; SMN2POLBMEN1 | |
| SCHEMBL9004267 | 0.69 | NR1H2 (0.47) | NR1H2NR1H3AURKAAURKBPIK3CD | |
| SCHEMBL9927344 | 0.67 | NISCH (0.36) | NR1H2NR1H3MAPTLMNAPOLB | |
| SCHEMBL3500360 | 0.66 | MAPT (0.50) | AURKAAURKBBRD4MAPTLMNA | |
| SCHEMBL10205375 | 0.66 | CA1 (0.50) | NR1H2NR1H3AURKAAURKBPIK3CD | |
| SCHEMBL24704311 | 0.65 | NISCH (0.33) | MAPTPKMCNR1GPR55MEN1 | |
| SCHEMBL9100099 | 0.65 | RAF1 (0.32) | MAPTPOLBMEN1KMT2A | |
| SCHEMBL9004285 | 0.65 | CASP3 (0.56) | NR1H2NR1H3PIK3CDPIK3CGMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5550122-A | INHIBIT REVERSE TRANSCRIPTASE | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 1996-08-27 | — | — | US | disclosed |
| EP-0415303-B1 | Pyrido [2,3-b][1,5]benzoxazepin (and thiazepin)-5(6H)-ones and -thiones and their use in the prevention or treatment of HIV infection | BOEHRINGER INGELHEIM PHARMA (US) | 1995-12-13 | — | — | EP | disclosed |
| EP-0415303-A2 | Pyrido [2,3-b][1,5]benzoxazepin (and thiazepin)-5(6H)-ones and -thiones and their use in the prevention or treatment of HIV infection | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 1991-03-06 | — | — | EP | disclosed |