Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MLYCD | O95822 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1338588 | 0.79 | ALDH1A1 (0.32) | ALDH1A1MLYCD | |
| SCHEMBL7940758 | 0.71 | ALDH1A1 (0.35) | ALDH1A1CYP1A2MAPK1CA12CA1 | |
| SCHEMBL24070100 | 0.71 | MLYCD (0.33) | ALDH1A1MLYCD | |
| SCHEMBL11791297 | 0.71 | — | — | |
| SCHEMBL24246395 | 0.65 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL23613208 | 0.65 | PIK3CD (0.31) | — | |
| SCHEMBL110822 | 0.65 | ALDH1A1 (0.65) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL24654747 | 0.65 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL7931709 | 0.65 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL13230635 | 0.63 | ALDH1A1 (0.30) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6686509-B2 | Process for producing α, α-difluorocycloalkane compound | MITSUI CHEMICALS, INC. (JP) | 2004-02-03 | — | — | US | disclosed |
| US-20030078460-A1 | Process for producing alpha, alpha-difluorocycloalkane compound | MITSUI CHEMICALS, INC. (JP) | 2003-04-24 | — | — | US | disclosed |
| 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 |