Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL6441994 | 1.00 | HTT (0.54) | HTTCES2CES1DPP4CYP1A2 | |
| SCHEMBL29431520 | 0.97 | HTT (0.50) | HTTCES2CES1DPP4CYP1A2 | |
| SCHEMBL27772 | 0.97 | HTT (0.50) | HTTCES2CES1DPP4CYP1A2 | |
| Hydrochloric Acid SCHEMBL10715453 | 0.93 | HTT (0.48) | HTTCES2CES1DPP4CYP1A2 | |
| Hydrochloric Acid SCHEMBL10668016 | 0.93 | HTT (0.48) | HTTCES2CES1DPP4CYP1A2 | |
| SCHEMBL11158141 | 0.93 | HTT (0.48) | HTTCES2CES1DPP4CYP1A2 | |
| Water SCHEMBL29105761 | 0.93 | HTT (0.48) | HTTCES2CES1DPP4CYP1A2 | |
| SCHEMBL3630379 | 0.93 | HTT (0.48) | HTTCES2CES1DPP4CYP1A2 | |
| SCHEMBL5693960 | 0.93 | HTT (0.48) | HTTCES2CES1DPP4CYP1A2 | |
| SCHEMBL6903601 | 0.93 | HTT (0.48) | HTTCES2CES1DPP4CYP1A2 |
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-6437168-B1 | FLUORINATION; EFFICIENT EXTRACTION | NIPPON SHOKUBAI CO., LTD. (JP) | 2002-08-20 | — | — | US | disclosed |
| US-20020035301-A1 | Method for production of aromatic fluorine compound | NIPPON SHOKUBAI CO., LTD. (JP) | 2002-03-21 | — | — | 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 (1 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-20020035301-A1 | Method for production of aromatic fluorine compound | AFF4, AFF2, AFF1 | HTT 2216/4885CES2 355/4885CES1 2953/4885 |
“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.