Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 10/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | PNMT | P11086 | 1/20 | 0.39 |
| ▸ | KAT6A | Q92794 | 2/20 | 0.39 |
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | PKLR | P30613 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1272213 | 0.82 | ALDH1A1 (0.50) | CA12CA1CA2CA9NFE2L2 | |
| SCHEMBL853152 | 0.80 | ALDH1A1 (0.44) | CA12CA1CA2CA9NFE2L2 | |
| SCHEMBL17942291 | 0.80 | ABCC9 (0.43) | CA12CA1CA2CA9NFE2L2 | |
| SCHEMBL67448 | 0.77 | ALDH1A1 (0.52) | CA12CA1CA2CA9NFE2L2 | |
| SCHEMBL775608 | 0.76 | HTR2C (0.59) | CA12CA1CA2CA9NFE2L2 | |
| SCHEMBL7938018 | 0.76 | HSD17B2 (0.42) | CA12CA1CA2CA9PNMT | |
| SCHEMBL11685284 | 0.76 | KMT2A (0.50) | PNMT | |
| SCHEMBL15514618 | 0.74 | CA12 (0.47) | CA12CA1CA2CA9NFE2L2 | |
| SCHEMBL1889098 | 0.74 | CA12 (0.47) | CA12CA1CA2CA9NFE2L2 | |
| SCHEMBL7940614 | 0.74 | MMP2 (0.45) | CA1CA2PNMTPKM |
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 |
|---|---|---|---|---|---|---|---|
| US-6242654-B1 | REACTING A PHENOLATE COMPOUND WITH AN ORGANIC FLUORINATING AGENT TO PREPARE A FLUORINE SUBSTITUTED AROMATIC COMPOUND | MITSUI CHEMICALS, INC. (JP) | 2001-06-05 | — | — | US | disclosed |
| EP-1013629-A1 | Preparation process of fluorine subsituted aromatic compound | Mitsui Chemicals, Inc. (JP) | 2000-06-28 | — | — | EP | disclosed |