Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | ESR1 | P03372 | 9/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.53 |
| ▸ | KDR | P35968 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL361994 | 0.89 | ESR1 (0.66) | LMNAESR1TSHRTDP1KDM4E | |
| SCHEMBL18773577 | 0.86 | CA12 (0.62) | LMNAESR1TSHRCA12CA1 | |
| SCHEMBL12756270 | 0.84 | LMNA (0.67) | LMNAESR1ALDH1A1CHRM1TSHR | |
| SCHEMBL16325360 | 0.82 | CA12 (0.68) | LMNAESR1ALDH1A1CHRM1TSHR | |
| SCHEMBL14199955 | 0.81 | LMNA (0.58) | LMNAESR1ALDH1A1CHRM1TSHR | |
| SCHEMBL7669589 | 0.81 | LMNA (0.58) | LMNAESR1ALDH1A1CHRM1TSHR | |
| SCHEMBL23309676 | 0.80 | LMNA (0.53) | LMNAESR1ALDH1A1CHRM1TSHR | |
| SCHEMBL39034 | 0.79 | CA12 (0.74) | LMNAESR1ALDH1A1CHRM1TSHR | |
| SCHEMBL13176459 | 0.78 | ESR1 (0.81) | LMNAESR1ALDH1A1CHRM1TSHR | |
| SCHEMBL18459949 | 0.77 | LMNA (0.58) | LMNAESR1ALDH1A1CHRM1TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3551632-A1 | SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS | Leo Pharma A/S (DK) | 2019-10-16 | — | — | EP | disclosed |
| WO-2018108910-A1 | SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS | LEO PHARMA A/S (DK) | 2018-06-21 | — | — | WO | disclosed |