Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.36 |
| ▸ | FBP1 | P09467 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | CRHBP | P24387 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.31 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL492419 | 0.85 | — | — | |
| SCHEMBL1626218 | 0.85 | — | — | |
| SCHEMBL8425601 | 0.80 | — | — | |
| SCHEMBL8425599 | 0.80 | — | — | |
| Benzene SCHEMBL27592040 | 0.76 | MEN1 (0.55) | ALDH1A1LMNAMEN1KMT2AHPGD | |
| Benzene SCHEMBL2316850 | 0.73 | CA5A (0.73) | ALDH1A1LMNAMEN1KMT2AHIF1A | |
| Benzene SCHEMBL1533791 | 0.73 | ALDH1A1 (0.42) | ALDH1A1LMNAMEN1KMT2ACA5A | |
| Benzene SCHEMBL31173421 | 0.73 | CA5A (0.73) | ALDH1A1LMNAMEN1KMT2AHIF1A | |
| Benzene SCHEMBL11666990 | 0.73 | ALDH1A1 (0.42) | ALDH1A1LMNAMEN1KMT2AHPGD | |
| Benzene SCHEMBL29240573 | 0.73 | CA5A (0.73) | ALDH1A1LMNAMEN1KMT2AHIF1A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108997309-A | A kind of preparation method of pyrazoles -4- aryl derivatives | 中国科学技术大学苏州研究院 | 2018-12-14 | — | — | CN | disclosed |
| CN-105749948-B | A kind of supported non-precious metal catalyst and its preparation and application | 中国科学院大连化学物理研究所 | 2018-12-07 | — | — | CN | disclosed |
| CN-105801625-B | The preparation method of bidentate phosphite ester ligand and its application in Buchwald Hartwig reactions | 郑州大学 | 2017-08-25 | — | — | CN | disclosed |
| CN-105801625-A | Preparation method of novel bidentate phosphite ligand and application thereof in Buchwald-Hartwig reaction | 郑州大学 | 2016-07-27 | — | — | CN | disclosed |