Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 3/20 | 0.33 |
| ▸ | GLA | P06280 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | CA1 | P00915 | 4/20 | 0.31 |
| ▸ | CA2 | P00918 | 4/20 | 0.31 |
| ▸ | CA12 | O43570 | 3/20 | 0.31 |
| ▸ | CA7 | P43166 | 3/20 | 0.31 |
| ▸ | CA9 | Q16790 | 3/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 2/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25195357 | 0.81 | CA12 (0.34) | MAPTCA1CA2CA12CA9 | |
| SCHEMBL5552082 | 0.80 | TSHR (0.39) | KDM4EMAPTTSHRCA1CA2 | |
| Hydrochloric Acid SCHEMBL27029865 | 0.80 | CA12 (0.33) | MAPTCA1CA2CA12CA9 | |
| SCHEMBL28829463 | 0.79 | MGAM (0.33) | GAA | |
| SCHEMBL6414618 | 0.75 | TSHR (0.37) | KDM4EGAAMAPTTSHRCA1 | |
| SCHEMBL27209677 | 0.74 | TSHR (0.39) | KDM4EGAAMAPTTSHRCA1 | |
| SCHEMBL7390867 | 0.74 | HDAC3 (0.30) | CA1CA12CA9HSD17B10 | |
| SCHEMBL27293804 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL28600502 | 0.74 | — | — | |
| SCHEMBL1986899 | 0.74 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107873028-B | Polycyclic amide derivatives useful as CDK9 inhibitors | 阿斯利康(瑞典)有限公司 | 2021-02-02 | — | — | CN | disclosed |
| CN-104884436-B | Benzazepine derivatives and its medical usage | 株式会社三和化学研究所 | 2017-06-13 | — | — | CN | disclosed |
| CN-104884436-A | Novel benzazepine derivative and pharmaceutical use thereof | SANWA KAGAKU KENKYUSHO CO | 2015-09-02 | — | — | CN | disclosed |
| CN-102617580-B | Vasopressin v1a antagonists | VANTIA LTD | 2015-03-04 | — | — | CN | disclosed |
| CN-102617580-A | Vasopressin V1a Antagonists | FERRING BV | 2012-08-01 | — | — | CN | disclosed |
| CN-101563347-A | Vasopressin V1a antagonists | VANTIA LTD (GB) | 2009-10-21 | — | — | CN | disclosed |
| EP-1781661-A2 | VASOPRESSIN V1A ANTAGONISTS | Ferring B.V. (NL) | 2007-05-09 | — | — | EP | disclosed |
| WO-2006021213-A2 | VASOPRESSIN V1A ANTAGONISTS | FERRING B.V. (NL) | 2006-03-02 | — | — | WO | disclosed |
| EP-0203902-A2 | 1,2,3,4,5,6-Hexahydro-azepino[4,5-b] indole derivatives, their preparation, intermediate compounds and their therapeutical use | OMNICHEM Société anonyme (BE) | 1986-12-03 | — | — | EP | disclosed |