Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.61 |
| ▸ | MMP3 | P08254 | 2/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.59 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.59 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.59 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.59 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.59 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.57 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.57 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.56 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.54 |
| ▸ | ABL1 | P00519 | 1/20 | 0.53 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.53 |
| ▸ | BCR | P11274 | 1/20 | 0.53 |
| ▸ | PTPN5 | P54829 | 3/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.48 |
| ▸ | IDH1 | O75874 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28199055 | 0.87 | ESR1 (0.67) | ESR1MEN1KMT2AMMP3CYP3A4 | |
| SCHEMBL27849732 | 0.87 | HSD17B1 (0.61) | ESR1MEN1KMT2AMMP3CYP3A4 | |
| SCHEMBL19730255 | 0.86 | ESR1 (0.65) | ESR1MEN1KMT2AMMP3CYP3A4 | |
| SCHEMBL27927635 | 0.86 | ESR1 (0.58) | ESR1MEN1KMT2AMMP3CYP3A4 | |
| SCHEMBL7039574 | 0.85 | MMP3 (0.68) | ESR1MEN1KMT2AMMP3CYP3A4 | |
| SCHEMBL2977565 | 0.85 | ESR1 (0.70) | ESR1CYP3A4CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL8056670 | 0.83 | ESR1 (0.67) | ESR1MEN1KMT2AMMP3CYP3A4 | |
| SCHEMBL7938048 | 0.83 | MMP3 (0.71) | ESR1MEN1KMT2AMMP3CYP3A4 | |
| SCHEMBL29040199 | 0.83 | ACMSD (0.61) | CYP3A4CYP17A1CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL3174260 | 0.82 | ESR1 (0.82) | ESR1MEN1KMT2AMMP3CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-20170306090-A1 | METHOD FOR MAKING POLYCARBONATE USING A LIQUID KETONE MIXTURE | SABIC GLOBAL TECHNOLOGIES B.V. (NL) | 2017-10-26 | — | — | US | disclosed |