Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | ALPG | P10696 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.50 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.50 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.50 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7937303 | 0.96 | HSD11B1 (0.56) | CA12CA1CA2CA9CA14 | |
| SCHEMBL9617501 | 0.92 | LTA4H (0.55) | CA12CA1CA2CA9CA14 | |
| SCHEMBL5524425 | 0.92 | LTA4H (0.55) | CA12CA1CA2CA9CA14 | |
| SCHEMBL9163179 | 0.90 | ALDH1A1 (0.64) | CA12CA1CA2CA9CA14 | |
| Benzene SCHEMBL27709388 | 0.86 | ALDH1A1 (0.70) | HPGDLMNASMN1; SMN2ALPGALDH1A1 | |
| SCHEMBL17068941 | 0.86 | ALDH1A1 (0.70) | HPGDLMNASMN1; SMN2ALPGALDH1A1 | |
| SCHEMBL251921 | 0.86 | ALDH1A1 (0.70) | HPGDLMNASMN1; SMN2ALPGALDH1A1 | |
| SCHEMBL27483853 | 0.86 | ALDH1A1 (0.70) | HPGDLMNASMN1; SMN2ALPGALDH1A1 | |
| SCHEMBL7940606 | 0.86 | ALDH1A1 (0.70) | HPGDLMNASMN1; SMN2ALPGALDH1A1 | |
| SCHEMBL13297333 | 0.85 | CA1 (0.58) | CA12CA1CA2CA9CA14 |
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 |