Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | CASP4 | P49662 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | CASP9 | P55211 | 1/20 | 0.45 |
| ▸ | CASP6 | P55212 | 1/20 | 0.45 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.43 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | PIK3C2G | O75747 | 1/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9100124 | 0.81 | NR1H2 (0.40) | NR1H2NR1H3MEN1KMT2APIK3CD | |
| SCHEMBL9103407 | 0.81 | PIK3CD (0.38) | CASP1CASP7NR1H2NR1H3MEN1 | |
| SCHEMBL9004285 | 0.81 | CASP3 (0.56) | CASP1CASP3CASP4CASP7CASP9 | |
| SCHEMBL9099835 | 0.78 | CAPN9 (0.45) | CASP3MEN1KMT2AALDH1A1GAA | |
| SCHEMBL9101978 | 0.76 | MAPT (0.53) | MEN1KMT2ALMNA | |
| SCHEMBL9807143 | 0.68 | ACHE (0.41) | CASP1CASP3CASP4CASP7CASP9 | |
| SCHEMBL19138463 | 0.66 | ALPL (0.44) | CASP1CASP3CASP4CASP7CASP9 | |
| SCHEMBL9004267 | 0.65 | NR1H2 (0.47) | CASP1CASP7NR1H2NR1H3MEN1 | |
| SCHEMBL21774741 | 0.65 | CASP3 (0.56) | CASP1CASP3CASP4CASP7CASP9 | |
| SCHEMBL19138439 | 0.64 | ALPL (0.46) | CASP1CASP3CASP4CASP7CASP9 |
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 |