Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.64 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 7/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | KDM4A | O75164 | 1/20 | 0.47 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL109206 | 0.88 | TSHR (0.63) | ALDH1A1P2RX7TSHRL3MBTL1MAPK1 | |
| SCHEMBL29571304 | 0.88 | TSHR (0.63) | ALDH1A1P2RX7TSHRL3MBTL1MAPK1 | |
| SCHEMBL27977134 | 0.84 | P2RX7 (0.54) | ALDH1A1P2RX7TSHRTDP1L3MBTL1 | |
| SCHEMBL8407020 | 0.84 | ALDH1A1 (0.64) | ALDH1A1TSHRTDP1L3MBTL1CYP3A4 | |
| SCHEMBL163355 | 0.84 | ALDH1A1 (0.64) | ALDH1A1TSHRTDP1L3MBTL1CYP3A4 | |
| SCHEMBL28216192 | 0.83 | P2RX7 (0.60) | ALDH1A1P2RX7TSHRTDP1L3MBTL1 | |
| SCHEMBL25421430 | 0.83 | ALDH1A1 (0.62) | ALDH1A1TSHRTDP1L3MBTL1CYP3A4 | |
| SCHEMBL28937318 | 0.82 | P2RX7 (0.58) | ALDH1A1P2RX7TSHRTDP1L3MBTL1 | |
| SCHEMBL27492813 | 0.81 | ALDH1A1 (0.60) | ALDH1A1TSHRTDP1L3MBTL1CYP3A4 | |
| SCHEMBL11846633 | 0.80 | ALDH1A1 (0.58) | ALDH1A1TSHRTDP1L3MBTL1CYP3A4 |
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 8 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 | claimed |
| WO-2018108910-A1 | SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS | LEO PHARMA A/S (DK) | 2018-06-21 | — | — | WO | claimed |
| EP-3551632-A1 | SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS | Leo Pharma A/S (DK) | 2019-10-16 | — | — | EP | disclosed |
| CN-104870422-B | Amine derivative or its salt | 富士胶片富山化学株式会社 | 2019-03-15 | — | — | CN | disclosed |
| WO-2018108910-A1 | SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS | LEO PHARMA A/S (DK) | 2018-06-21 | — | — | WO | disclosed |
| WO-2018026371-A1 | DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS | SUNOVION PHARMACEUTICALS INC. (US) | 2018-02-08 | — | — | WO | disclosed |
| CN-103459384-A | Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture | EXELIXIS INC | 2013-12-18 | — | — | CN | disclosed |
| CN-102459249-A | Benzoxazepines based p13k/mt0r inhibitors against proliferative diseases | EXELIXIS INC | 2012-05-16 | — | — | CN | disclosed |