Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPS1 | P31327 | 11/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL20267591 | 0.88 | ALDH1A1 (0.51) | GAAALDH1A1L3MBTL1TSHRTDP1 | |
| SCHEMBL12093644 | 0.88 | KDM4E (0.56) | CPS1GAAALDH1A1L3MBTL1TSHR | |
| SCHEMBL27892585 | 0.83 | HTT (0.54) | GAAALDH1A1L3MBTL1TSHRTDP1 | |
| SCHEMBL13663882 | 0.82 | TSHR (0.57) | ALDH1A1L3MBTL1TSHRTDP1POLB | |
| SCHEMBL20267370 | 0.81 | ALDH1A1 (0.54) | ALDH1A1L3MBTL1TSHRTDP1MEN1 | |
| SCHEMBL1554929 | 0.80 | CPS1 (0.61) | CPS1GAAALDH1A1MEN1KMT2A | |
| SCHEMBL14651484 | 0.80 | KDM4E (0.56) | ALDH1A1L3MBTL1TSHRTDP1MEN1 | |
| SCHEMBL17700760 | 0.79 | CYP3A4 (0.51) | CPS1GAAALDH1A1TSHRMEN1 | |
| SCHEMBL28053004 | 0.79 | CPS1 (0.59) | CPS1GAAALDH1A1MEN1KMT2A | |
| SCHEMBL25934294 | 0.79 | CRBN (0.47) | KMT2AMAPT |
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-3551634-A1 | SUBSTITUTED PYRAZOLOAZEPIN-8-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS | Leo Pharma A/S (DK) | 2019-10-16 | — | — | EP | disclosed |
| EP-3551633-A1 | SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS | Leo Pharma A/S (DK) | 2019-10-16 | — | — | EP | disclosed |
| WO-2018108231-A1 | SUBSTITUTED PYRAZOLOAZEPIN-8-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS | LEO PHARMA A/S (DK) | 2018-06-21 | — | — | WO | disclosed |
| WO-2018108230-A1 | SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS | LEO PHARMA A/S (DK) | 2018-06-21 | — | — | WO | disclosed |