Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.48 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | PPARG | P37231 | 3/20 | 0.36 |
| ▸ | PPARA | Q07869 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2128303 | 1.00 | TAS1R3 (0.48) | TAS1R3TAS1R1PTPN1ALDH1A1PPARG | |
| Benzene SCHEMBL27686539 | 0.92 | TAS1R3 (0.44) | TAS1R3TAS1R1PTPN1ALDH1A1PPARG | |
| SCHEMBL16178261 | 0.92 | TAS1R3 (0.44) | TAS1R3TAS1R1PTPN1ALDH1A1PPARG | |
| SCHEMBL16178260 | 0.92 | TAS1R3 (0.44) | TAS1R3TAS1R1PTPN1ALDH1A1PPARG | |
| SCHEMBL22729264 | 0.86 | TAS1R3 (0.40) | TAS1R3TAS1R1PTPN1ALDH1A1PPARA | |
| SCHEMBL22729265 | 0.86 | TAS1R3 (0.40) | TAS1R3TAS1R1PTPN1ALDH1A1PPARA | |
| SCHEMBL28728368 | 0.86 | PPARG (0.50) | PTPN1ALDH1A1PPARGPPARATDP1 | |
| SCHEMBL1686949 | 0.85 | — | — | |
| SCHEMBL1686947 | 0.85 | — | — | |
| SCHEMBL28177272 | 0.85 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8304581-B2 | Method of enantioselective addition to enones | NATIONAL TSING HUA UNIVERSITY (TW) | 2012-11-06 | — | — | US | disclosed |
| US-20110282101-A1 | METHOD OF ENANTIOSELECTIVE ADDITION TO ENONES | NATIONAL TSING HUA UNIVERSITY (TW) | 2011-11-17 | — | — | US | disclosed |
| US-5583263-A | REACTING ACETONE AND BUTYRALDEHYDE IN PRESENCE OF FIXED BED BASIC ION EXCHANGE CROSS ALDOL CATALYST AND WATER, DEHYDRATING IN PRESENCE OF STEAM AND ACID CATALYST, HYDROGENATING TO MIXTURE OF AMYL AND ISOBUTYL METHYL KETONES | SHELL OIL COMPANY (US) | 1996-12-10 | — | — | US | disclosed |
| US-4212825-A | Aldol condensation and hydrogenation process using a catalyst of nickel and cobalt together with zinc oxide and another metal of groups VIII, IIb, IIIa, IVa and Va of the periodic table | BASF AKTIENGESELLSCHAFT (DE) | 1980-07-15 | — | — | 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-20110282101-A1 | METHOD OF ENANTIOSELECTIVE ADDITION TO ENONES | CPNE4, ENY2, CYP3A4 | TAS1R3 4713/4885TAS1R1 4821/4885PTPN1 3693/4885 |
“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.