Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | F2 | P00734 | 3/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.44 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.44 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.44 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.43 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.43 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.43 |
| ▸ | GBA1 | P04062 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA3 | P07451 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 3/20 | 0.39 |
| ▸ | MMP1 | P03956 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20968996 | 1.00 | ALDH1A1 (0.47) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL723060 | 0.87 | ALDH1A1 (0.50) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL3725641 | 0.87 | ALDH1A1 (0.50) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL3254319 | 0.87 | ALDH1A1 (0.50) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL8430250 | 0.86 | CA12 (0.43) | ALDH1A1PRSS1CA1CA2CA12 | |
| SCHEMBL8427949 | 0.86 | CA12 (0.43) | ALDH1A1PRSS1CA1CA2CA12 | |
| SCHEMBL28194658 | 0.85 | SLC1A3 (0.41) | ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A | |
| SCHEMBL8073747 | 0.85 | ALDH1A1 (0.46) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL10719845 | 0.83 | TDP1 (0.41) | ALDH1A1GAAKMT2ALMNAPOLB | |
| SCHEMBL8045385 | 0.83 | CA2 (0.45) | ALDH1A1F2CA1CA2CA12 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107635989-B | Benzimidazole derivatives as bromodomain inhibitors | 葛兰素史克知识产权开发有限公司 | 2020-12-08 | — | — | CN | disclosed |
| CN-110709071-A | Methods for administering certain VMAT2 inhibitors | 纽罗克里生物科学有限公司 | 2020-01-17 | — | — | CN | disclosed |
| CN-102180861-A | Bicyclol valine ester as well as preparation method, pharmaceutical composition and application thereof | UNIV WUHAN | 2011-09-14 | — | — | CN | disclosed |
| EP-1747190-A1 | PROCESS FOR THE PREPARATION OF VALSARTAN AND PRECURSORS THEREOF | INKE, S.A. (ES) | 2007-01-31 | — | — | EP | disclosed |
| WO-2005102987-A1 | PROCESS FOR THE PREPARATION OF VALSARTAN AND PRECURSORS THEREOF | INKE, S.A. (ES) | 2005-11-03 | — | — | WO | disclosed |
| EP-0748791-B1 | Valine p-isopropylbenzene sulfonate and a process for purifying valine | AJINOMOTO KK (JP) | 1999-11-17 | — | — | EP | disclosed |
| US-5689001-A | Process for purifying valine | AJINOMOTO CO., INC. (JP) | 1997-11-18 | — | — | US | disclosed |
| EP-0748791-A2 | Valine p-isopropylbenzene sulfonate and a process for purifying valine | Ajinomoto Co., Inc. (JP) | 1996-12-18 | — | — | EP | disclosed |