Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.54 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.54 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.54 |
| ▸ | EPHX2 | P34913 | 8/20 | 0.51 |
| ▸ | CA12 | O43570 | 2/20 | 0.51 |
| ▸ | CA1 | P00915 | 2/20 | 0.51 |
| ▸ | CA2 | P00918 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | ALPL | P05186 | 1/20 | 0.50 |
| ▸ | ALPI | P09923 | 1/20 | 0.50 |
| ▸ | ALPG | P10696 | 1/20 | 0.50 |
| ▸ | KIF11 | P52732 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL30480929 | 1.00 | ALDH1A1 (0.56) | ALDH1A1TAS1R3TAS1R1TAS1R2EPHX2 | |
| SCHEMBL6185781 | 0.82 | RAB9A (0.53) | ALDH1A1ALPLALPIALPGKIF11 | |
| Bicarbonate SCHEMBL15207928 | 0.81 | ALDH1A1 (0.54) | ALDH1A1TAS1R3TAS1R1TAS1R2EPHX2 | |
| SCHEMBL2097325 | 0.81 | ALDH1A1 (0.62) | ALDH1A1TAS1R3TAS1R1TAS1R2EPHX2 | |
| SCHEMBL2097323 | 0.81 | ALDH1A1 (0.58) | ALDH1A1TAS1R3TAS1R1TAS1R2EPHX2 | |
| SCHEMBL20560573 | 0.79 | ALDH1A1 (0.56) | ALDH1A1TAS1R3TAS1R1TAS1R2EPHX2 | |
| SCHEMBL15215634 | 0.79 | ALDH1A1 (0.47) | ALDH1A1TAS1R3TAS1R1TAS1R2EPHX2 | |
| SCHEMBL142976 | 0.79 | LMNA (0.50) | ALDH1A1TAS1R3TAS1R1TAS1R2EPHX2 | |
| SCHEMBL2564600 | 0.79 | ALDH1A1 (0.56) | ALDH1A1TAS1R3TAS1R1TAS1R2EPHX2 | |
| SCHEMBL29611630 | 0.79 | LMNA (0.50) | ALDH1A1TAS1R3TAS1R1TAS1R2EPHX2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007121963-A1 | METHODS FOR INTERFERING WITH DISEASE RELATED TO IMPAIRED MAST CELL ACTIVATION | MERCK PATENT GMBH (DE) | 2007-11-01 | — | — | WO | claimed |
| CN-109897032-A | Poly-substituted quinoline derivative and its application | 遵义医科大学 | 2019-06-18 | — | — | CN | disclosed |
| CN-106748990-A | A kind of substituted bisarylurea compound with antitumor activity and its preparation method and application | 西安交通大学 | 2017-05-31 | — | — | CN | disclosed |
| CN-101679432-B | Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors | SIGNAL PHARM LLC | 2015-04-22 | — | — | CN | disclosed |
| WO-2003000245-A1 | COMPOUNDS FOR USE IN DISORDERS ASSOCIATED WITH MAST CELL OR BASOPHIL ACTIVITY | POSEIDON PHARMACEUTICALS A/S (DK) | 2003-01-03 | — | — | WO | disclosed |