Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCOA1 | Q15788 | 1/20 | 0.53 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | MITF | O75030 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.44 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.44 |
| ▸ | IKBKB | O14920 | 1/20 | 0.44 |
| ▸ | BRAF | P15056 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL25135315 | 0.93 | NCOA1 (0.62) | NCOA1NCOA3MAOABRD4ALDH1A1 | |
| SCHEMBL3789240 | 0.91 | NCOA1 (0.49) | NCOA1NCOA3MAOABRD4ALDH1A1 | |
| SCHEMBL10907085 | 0.84 | NCOA1 (0.68) | NCOA1NCOA3MAOAALDH1A1GAA | |
| SCHEMBL3789550 | 0.83 | MAOB (0.53) | NCOA1NCOA3MAOABRD4ALDH1A1 | |
| SCHEMBL25135310 | 0.83 | MAOB (0.58) | NCOA1NCOA3MAOABRD4ALDH1A1 | |
| SCHEMBL4965452 | 0.81 | ALDH1A1 (0.43) | NCOA1NCOA3MAOABRD4ALDH1A1 | |
| SCHEMBL10703670 | 0.79 | NCOA1 (0.57) | NCOA1NCOA3MAOABRD4ALDH1A1 | |
| SCHEMBL3790679 | 0.79 | NCOA1 (0.47) | NCOA1NCOA3MAOABRD4ALDH1A1 | |
| SCHEMBL25135312 | 0.78 | KDM4E (0.47) | NCOA1NCOA3MAOABRD4ALDH1A1 | |
| Aniline SCHEMBL22169197 | 0.77 | MAOA (0.58) | NCOA1NCOA3MAOAALDH1A1GAA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100087680-A1 | METHOD FOR PRODUCING BIARYL COMPOUND | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 2010-04-08 | — | — | US | disclosed |
| US-7405231-B2 | Anticancer agents; inhibitors of the HER-signaling pathway with decreased toxicity, better solubility and improved pharmacokinetic profile; e.g. 1-[4-(4-(2-[(E)-2-(4-Methanesulfinyl-phenyl)-vinyl]-oxazol-4-ylmethoxy)-phenyl)-butyl]-1H-[1,2,3]triazole | HOFFMANN-LA ROCHE INC. (US) | 2008-07-29 | — | — | US | disclosed |
| EP-1914221-A1 | PROCESS FOR PRODUCING BIARYL COMPOUND | Sumitomo Chemical Company, Limited (JP) | 2008-04-23 | — | — | EP | disclosed |
| US-7235574-B2 | Pentafluorosulfanyl compounds | HOFFMANN-LA ROCHE INC. (US) | 2007-06-26 | — | — | US | disclosed |
| US-20050203064-A1 | Novel oxidized thioether derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2005-09-15 | — | — | US | disclosed |
| US-20050197370-A1 | Novel pentafluorosulfanyl compounds | HOFFMANN-LA ROCHE INC. | 2005-09-08 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050197370-A1 | Novel pentafluorosulfanyl compounds | SF3B5, SF3B1, SF3B3 | NCOA1 723/4885NCOA3 556/4885MAOA 4144/4885 |
| US-20050203064-A1 | Novel oxidized thioether derivatives | SULT1E1, CYP4F3, GPX4 | NCOA1 603/4885NCOA3 600/4885MAOA 2877/4885 |
| US-20100087680-A1 | METHOD FOR PRODUCING BIARYL COMPOUND | NISCH, BLVRB, BBOX1 | NCOA1 2120/4885NCOA3 989/4885MAOA 348/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.