Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP3 | P08254 | 1/20 | 0.71 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.71 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.67 |
| ▸ | ESR1 | P03372 | 6/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.52 |
| ▸ | MEN1 | O00255 | 5/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.48 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | CA3 | P07451 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Diphenylsulfane SCHEMBL29281661 | 0.93 | MMP3 (0.67) | MMP3BCL2L1NR1H2ESR1ESR2 | |
| SCHEMBL9803326 | 0.90 | NR1H2 (0.82) | MMP3BCL2L1NR1H2ESR1ESR2 | |
| SCHEMBL3779509 | 0.90 | NR1H2 (0.82) | MMP3BCL2L1NR1H2ESR1ESR2 | |
| SCHEMBL10997711 | 0.90 | NR1H2 (0.82) | MMP3BCL2L1NR1H2ESR1ESR2 | |
| SCHEMBL25747216 | 0.88 | MMP3 (0.56) | MMP3BCL2L1NR1H2ESR1ESR2 | |
| SCHEMBL543922 | 0.87 | NR1H2 (0.78) | MMP3BCL2L1NR1H2ESR1ESR2 | |
| Diphenylsulfane SCHEMBL11499754 | 0.87 | NR1H2 (0.78) | MMP3BCL2L1NR1H2ESR1ESR2 | |
| SCHEMBL8516000 | 0.87 | ALDH1A1 (0.56) | MMP3BCL2L1NR1H2MEN1KMT2A | |
| SCHEMBL21603033 | 0.87 | ALDH1A1 (0.56) | MMP3BCL2L1NR1H2MEN1KMT2A | |
| SCHEMBL27902166 | 0.87 | ALDH1A1 (0.56) | MMP3BCL2L1NR1H2MEN1KMT2A |
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 3 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 |
| US-4077962-A | WATER INSOLUBLE, GREEN-YELLOW, SYNTHETIC FIBERS | BAYER AKTIENGESELLSCHAFT (DT) | 1978-03-07 | — | — | US | disclosed |