Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL18775342 | 0.89 | CES2 (0.30) | — | |
| SCHEMBL30412164 | 0.84 | CA9 (0.36) | IDO1CA12CA1CA9CYP3A4 | |
| SCHEMBL22866422 | 0.81 | ALOX15 (0.33) | IDO1ALOX15 | |
| SCHEMBL29472174 | 0.76 | ALDH1A1 (0.53) | IDO1CA12CA1CA9CYP3A4 | |
| SCHEMBL7549121 | 0.76 | CA12 (0.35) | IDO1CA12CA1CA9CYP3A4 | |
| Fluoride SCHEMBL28376895 | 0.73 | ALDH1A1 (0.50) | IDO1CA12CA1CA9CYP3A4 | |
| SCHEMBL2250088 | 0.73 | IDO1 (0.43) | IDO1CA12CA1CA9ALOX15 | |
| SCHEMBL15286761 | 0.73 | CA1 (0.48) | CA1CA9CYP3A4 | |
| SCHEMBL15287359 | 0.73 | EPAS1 (0.33) | ALOX15 | |
| SCHEMBL950545 | 0.72 | ALDH1A1 (0.56) | CA1CA9ALOX15CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108358766-A | Preparation method of 2, 6-dichloro-4-fluorobenzaldehyde | 珠海奥博凯生物医药技术有限公司 | 2018-08-03 | — | — | CN | disclosed |
| CN-103553866-B | A kind of method preparing adjacent two/trihalogenated benzene | ZHEJIANG NORMAL UNIVERSITY (CN) | 2015-11-25 | — | — | CN | disclosed |