Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | IAPP | P10997 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11051211 | 1.00 | ALDH1A1 (0.40) | ALDH1A1TSHRTDP1TRPA1IAPP | |
| SCHEMBL4451959 | 0.83 | ALDH1A1 (0.39) | ALDH1A1TSHRTDP1TRPA1IAPP | |
| SCHEMBL4451963 | 0.83 | ALDH1A1 (0.39) | ALDH1A1TSHRTDP1TRPA1IAPP | |
| SCHEMBL13039636 | 0.82 | TRPA1 (0.40) | ALDH1A1TSHRTDP1TRPA1ALOX15 | |
| SCHEMBL2928513 | 0.76 | ALDH1A1 (0.37) | ALDH1A1TSHRTDP1TRPA1IAPP | |
| SCHEMBL2928514 | 0.76 | ALDH1A1 (0.37) | ALDH1A1TSHRTDP1TRPA1IAPP | |
| SCHEMBL2861207 | 0.76 | NR1I2 (0.61) | ALDH1A1TRPA1ALOX15CYP3A4 | |
| SCHEMBL2861204 | 0.76 | NR1I2 (0.61) | ALDH1A1TRPA1ALOX15CYP3A4 | |
| SCHEMBL11105098 | 0.74 | ALDH1A1 (0.56) | ALDH1A1TSHRTDP1TRPA1IAPP | |
| SCHEMBL11105090 | 0.74 | ALDH1A1 (0.56) | ALDH1A1TSHRTDP1TRPA1IAPP |
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 |
|---|---|---|---|---|---|---|---|
| EP-0062291-B1 | PROCESS FOR THE PREPARATION OF POLY-UNSATURATED KETONES | BASF Aktiengesellschaft (DE) | 1984-03-28 | — | — | EP | disclosed |
| US-4431844-A | MIXING AN UNSATURATED ALDEHYDE WITH EXCESS ACETONE OR METHYL ETHL KETONE IN AN ALKALI METAL HYDROXIDE AQUEOUS SOLUTION | BASF AKTIENGESELLSCHAFT (DE) | 1984-02-14 | — | — | US | disclosed |
| EP-0062291-A1 | Process for the preparation of poly-unsaturated ketones | BASF Aktiengesellschaft (DE) | 1982-10-13 | — | — | EP | disclosed |
| US-4005147-A | Production of α,β-unsaturated ketones | BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) | 1977-01-25 | — | — | US | disclosed |