Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.72 |
| ▸ | GAA | P10253 | 1/20 | 0.72 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.72 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.72 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.72 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.67 |
| ▸ | POLB | P06746 | 1/20 | 0.67 |
| ▸ | TSHR | P16473 | 1/20 | 0.67 |
| ▸ | RECQL | P46063 | 1/20 | 0.67 |
| ▸ | CA2 | P00918 | 3/20 | 0.64 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.63 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.63 |
| ▸ | CA1 | P00915 | 2/20 | 0.62 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | RORC | P51449 | 1/20 | 0.59 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.58 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.58 |
| ▸ | CA12 | O43570 | 1/20 | 0.58 |
| ▸ | CA9 | Q16790 | 1/20 | 0.58 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL13658737 | 0.89 | NR1H4 (0.74) | ALDH1A1GAAHSD17B10EPHX2NR1H4 | |
| SCHEMBL29488705 | 0.86 | RORC (0.71) | ALDH1A1KDM4EPOLBTSHRRECQL | |
| SCHEMBL933289 | 0.85 | EPHX2 (0.68) | ALDH1A1GAAHSD17B10EPHX2NR1H4 | |
| SCHEMBL12810429 | 0.85 | EPHX2 (0.72) | EPHX2NR1H4KDM4EPOLBTSHR | |
| SCHEMBL5681681 | 0.85 | HDAC1 (0.64) | ALDH1A1GAAHSD17B10EPHX2KDM4E | |
| SCHEMBL5677882 | 0.84 | CA2 (0.88) | EPHX2NR1H4CA2CA1CA12 | |
| SCHEMBL16088664 | 0.84 | APEX1 (0.74) | ALDH1A1GAAHSD17B10EPHX2NR1H4 | |
| SCHEMBL22059471 | 0.84 | EPHX2 (1.00) | EPHX2NR1H4CA2HDAC6CA1 | |
| SCHEMBL933885 | 0.83 | TSHR (0.67) | ALDH1A1GAAHSD17B10EPHX2NR1H4 | |
| SCHEMBL28266792 | 0.83 | RORC (0.83) | ALDH1A1GAAHSD17B10EPHX2NR1H4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114436955-A | Tetrahydroquinoline and benzomorpholine derivatives or salts thereof, and preparation method and application thereof | 复旦大学 | 2022-05-06 | — | — | CN | disclosed |
| WO-2011006935-A2 | TETRAZOLE DERIVATIVES | MERCK SERONO S.A. (CH) | 2011-01-20 | — | — | WO | disclosed |
| US-7019002-B2 | Substituted on 8th position with benzoic acid, ester or amide groups; anticancer agents | PHARMACIA & UPJOHN, S.P.A. (IT) | 2006-03-28 | — | — | US | disclosed |