Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 5/20 | 0.58 |
| ▸ | HTR2C | P28335 | 3/20 | 0.58 |
| ▸ | HTR6 | P50406 | 2/20 | 0.55 |
| ▸ | MMP1 | P03956 | 1/20 | 0.49 |
| ▸ | MMP2 | P08253 | 1/20 | 0.49 |
| ▸ | MMP3 | P08254 | 1/20 | 0.49 |
| ▸ | MMP9 | P14780 | 1/20 | 0.49 |
| ▸ | MMP12 | P39900 | 1/20 | 0.49 |
| ▸ | MMP13 | P45452 | 1/20 | 0.49 |
| ▸ | MMP14 | P50281 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.49 |
| ▸ | EGFR | P00533 | 1/20 | 0.49 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL11980110 | 0.88 | HTR6 (0.70) | HTR2AHTR2CHTR6MMP1MMP2 | |
| SCHEMBL778229 | 0.88 | HTR6 (0.70) | HTR2AHTR2CHTR6MMP1MMP2 | |
| SCHEMBL7937274 | 0.88 | HTR6 (0.70) | HTR2AHTR2CHTR6MMP1MMP2 | |
| SCHEMBL22233466 | 0.86 | CA1 (0.62) | HTR2AHTR2CHTR6CA12CA1 | |
| SCHEMBL23299707 | 0.82 | CA1 (0.65) | HTR6MMP1MMP2MMP3MMP9 | |
| SCHEMBL7938152 | 0.82 | HTR6 (0.61) | HTR2AHTR2CHTR6MMP1MMP2 | |
| SCHEMBL7929144 | 0.81 | HTR6 (0.55) | HTR6CA12CA1CA2CA9 | |
| SCHEMBL11980113 | 0.79 | CALM1 (0.67) | TAAR1 | |
| SCHEMBL576416 | 0.79 | CALM1 (0.67) | TAAR1 | |
| SCHEMBL3162326 | 0.79 | HTR2A (0.49) | HTR2AHTR2CHTR6MMP1MMP2 |
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 |