Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 2/20 | 0.52 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.52 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.50 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.50 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.46 |
| ▸ | AGXT | P21549 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | IDO1 | P14902 | 2/20 | 0.45 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL19993270 | 0.90 | MAOB (0.56) | CYP11B1CYP11B2CYP17A1CYP3A4TAAR1 | |
| SCHEMBL576416 | 0.87 | CALM1 (0.67) | TAAR1CALM1LMNAIDO1MAPK1 | |
| SCHEMBL11980113 | 0.87 | CALM1 (0.67) | TAAR1CALM1LMNAIDO1MAPK1 | |
| SCHEMBL269952 | 0.87 | CALM1 (0.65) | CYP11B1CYP11B2CYP17A1CYP3A4TAAR1 | |
| Hydrochloric Acid SCHEMBL28752835 | 0.85 | CALM1 (0.63) | TAAR1CALM1AGXTLMNAIDO1 | |
| Hydrochloric Acid SCHEMBL7991379 | 0.85 | CALM1 (0.63) | TAAR1CALM1AGXTLMNAIDO1 | |
| SCHEMBL27326 | 0.85 | CALM1 (0.71) | CYP3A4TAAR1CALM1CA12CA1 | |
| SCHEMBL12444110 | 0.84 | ALDH1A1 (0.60) | CYP3A4TAAR1PTGS1MAPK1 | |
| SCHEMBL7938359 | 0.84 | ALDH1A1 (0.60) | CYP3A4TAAR1PTGS1MAPK1 | |
| SCHEMBL412237 | 0.84 | ALDH1A1 (0.60) | CYP3A4TAAR1PTGS1MAPK1 |
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 |