Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.58 |
| ▸ | ESR1 | P03372 | 1/20 | 0.58 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.58 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.58 |
| ▸ | KDR | P35968 | 1/20 | 0.58 |
| ▸ | ATM | Q13315 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | STS | P08842 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | APEX1 | P27695 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28355831 | 0.87 | L3MBTL1 (0.72) | L3MBTL1ALDH1A1TSHRESR1ATM | |
| Trimethylammonium SCHEMBL6652130 | 0.83 | ALDH1A1 (0.57) | L3MBTL1ALDH1A1TSHRTDP1ESR1 | |
| SCHEMBL11158797 | 0.82 | ALDH1A1 (0.64) | L3MBTL1ALDH1A1TSHRTDP1ESR1 | |
| SCHEMBL7085123 | 0.82 | ALDH1A1 (0.64) | L3MBTL1ALDH1A1TSHRTDP1ESR1 | |
| SCHEMBL49950 | 0.81 | ALDH1A1 (0.84) | ALDH1A1TSHRTDP1ESR1CHRM1 | |
| SCHEMBL25311401 | 0.81 | STS (0.68) | ALDH1A1TSHRTDP1ESR1CHRM1 | |
| SCHEMBL28758641 | 0.79 | ALDH1A1 (0.81) | ALDH1A1TSHRTDP1ESR1CHRM1 | |
| SCHEMBL27647586 | 0.79 | ALDH1A1 (0.81) | ALDH1A1TSHRTDP1ESR1CHRM1 | |
| Methane SCHEMBL27699232 | 0.79 | ALDH1A1 (0.81) | ALDH1A1TSHRTDP1ESR1CHRM1 | |
| SCHEMBL27667930 | 0.79 | ALDH1A1 (0.81) | ALDH1A1TSHRTDP1ESR1CHRM1 |
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-2018108230-A1 | SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS | LEO PHARMA A/S (DK) | 2018-06-21 | — | — | WO | disclosed |
| WO-2018108231-A1 | SUBSTITUTED PYRAZOLOAZEPIN-8-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS | LEO PHARMA A/S (DK) | 2018-06-21 | — | — | WO | disclosed |