Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 5/20 | 0.52 |
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL608968 | 0.91 | ESR1 (0.56) | CYP19A1ESR1ESR2TSHRHSD17B10 | |
| SCHEMBL7929127 | 0.88 | ESR1 (0.59) | CYP19A1ESR1ESR2SMN1; SMN2HTT | |
| SCHEMBL7940635 | 0.82 | ESR1 (0.48) | CYP19A1ESR1ESR2TSHRRAB9A | |
| SCHEMBL7937282 | 0.81 | ESR1 (0.52) | ESR1ESR2TSHRRAB9AALDH1A1 | |
| SCHEMBL7938023 | 0.80 | ESR1 (0.78) | CYP19A1ESR1ESR2TSHRHSD17B10 | |
| SCHEMBL9621264 | 0.80 | ESR1 (0.46) | CYP19A1ESR1ESR2SMN1; SMN2HTT | |
| SCHEMBL13149707 | 0.78 | CYP19A1 (0.52) | CYP19A1SMN1; SMN2HTTL3MBTL1TSHR | |
| SCHEMBL13149704 | 0.78 | CYP19A1 (0.52) | CYP19A1SMN1; SMN2HTTL3MBTL1TSHR | |
| SCHEMBL7938608 | 0.77 | ACHE (0.59) | ESR1ESR2SMN1; SMN2HTTL3MBTL1 | |
| SCHEMBL35226 | 0.77 | — | — |
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 |