Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | ACACB | O00763 | 3/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 4/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.38 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.38 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.38 |
| ▸ | IDH1 | O75874 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 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 | |
|---|---|---|---|---|
| SCHEMBL18641309 | 0.86 | GABRA1 (0.37) | ALDH1A1ACACBFFAR1GABRA1GABRG2 | |
| SCHEMBL3346401 | 0.82 | ALDH1A1 (0.50) | ALDH1A1CYP3A4FFAR1GABRA1GABRG2 | |
| SCHEMBL43819 | 0.79 | GABRA1 (0.33) | ALDH1A1ACACBFFAR1GABRA1GABRG2 | |
| SCHEMBL132773 | 0.78 | ALDH1A1 (0.78) | ALDH1A1CYP3A4IDH1POLBCA2 | |
| SCHEMBL5958207 | 0.78 | ACACB (0.37) | ACACBFFAR1 | |
| SCHEMBL17729348 | 0.77 | GABRA1 (0.38) | ALDH1A1CYP3A4GABRA1GABRG2GABRB3 | |
| SCHEMBL43788 | 0.76 | ALDH1A1 (0.58) | ALDH1A1CYP3A4ACACBIDH1POLB | |
| SCHEMBL2659564 | 0.76 | ALDH1A1 (0.58) | ALDH1A1CYP3A4 | |
| SCHEMBL3447198 | 0.76 | FFAR1 (0.65) | ALDH1A1FFAR1CA2FFAR4 | |
| SCHEMBL4212601 | 0.76 | FFAR1 (0.50) | ALDH1A1FFAR1GABRA1GABRG2GABRB3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011157444-A1 | FUNCTIONALIZED MATERIALS BY CATALYZED CARBENE COPOLYMERIZATION | STICHTING DUTCH POLYMER INSTITUTE (NL) | 2011-12-22 | — | — | WO | disclosed |