Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.38 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.37 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.37 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21281128 | 0.84 | EPHX2 (0.49) | EPHX2MEN1KMT2ANPY5RALDH1A1 | |
| SCHEMBL22030495 | 0.84 | NPC1 (0.41) | NPC1ATML3MBTL1HSD11B1MEN1 | |
| SCHEMBL21281206 | 0.84 | NPC1 (0.41) | NPC1ATML3MBTL1HSD11B1KMT2A | |
| SCHEMBL19275282 | 0.84 | EPHX2 (0.44) | NPC1EPHX2NPY5RGNAI3GNAO1 | |
| SCHEMBL18909244 | 0.81 | EPHX2 (0.49) | EPHX2ATML3MBTL1MEN1KMT2A | |
| SCHEMBL18909336 | 0.78 | EPHX2 (0.39) | EPHX2NPY5RALDH1A1 | |
| SCHEMBL12516865 | 0.77 | L3MBTL3 (0.53) | NPC1EPHX2L3MBTL1NPY5RALDH1A1 | |
| SCHEMBL18909233 | 0.77 | EPHX2 (0.38) | EPHX2NPY5RALDH1A1 | |
| SCHEMBL25923427 | 0.77 | EPHX2 (0.42) | NPC1EPHX2NPY5RGNAI3GNAO1 | |
| SCHEMBL11948184 | 0.76 | ATM (0.52) | NPC1ATML3MBTL1MEN1KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3596072-B1 | PYRAZOLOCHLOROPHENYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | HOFFMANN LA ROCHE (CH) | 2022-06-22 | — | — | EP | disclosed |
| EP-3416967-B1 | THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | HOFFMANN LA ROCHE (CH) | 2022-02-09 | — | — | EP | disclosed |
| EP-3380474-B1 | JANUS KINASES INHIBITORS, COMPOSITIONS THEREOF AND USE THEREOF | HOFFMANN LA ROCHE (CH) | 2019-08-21 | — | — | EP | disclosed |
| WO-2017140825-A1 | THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2017-08-24 | — | — | WO | disclosed |
| WO-2017089390-A1 | JANUS KINASES INHIBITORS, COMPOSITIONS THEREOF AND USE THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2017-06-01 | — | — | WO | disclosed |