Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TLR4 | O00206 | 2/20 | 0.40 |
| ▸ | PPM1B | O75688 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10554621 | 1.00 | MAPK1 (0.44) | MAPK1MCL1CYP2D6TLR4PPM1B | |
| SCHEMBL26679307 | 0.90 | MAPK1 (0.46) | MAPK1MCL1CYP2D6TLR4KDM4E | |
| SCHEMBL9442231 | 0.90 | MAPK1 (0.46) | MAPK1MCL1CYP2D6TLR4KDM4E | |
| SCHEMBL5897639 | 0.89 | MAPK1 (0.44) | MAPK1MCL1CYP2D6TLR4KMT2A | |
| SCHEMBL2568943 | 0.88 | PPM1B (0.42) | TLR4PPM1BPTPN1PPP1CCHSD17B10 | |
| SCHEMBL14569653 | 0.88 | TSHR (0.41) | MAPK1ALDH1A1 | |
| SCHEMBL5897036 | 0.88 | TSHR (0.41) | MAPK1ALDH1A1 | |
| SCHEMBL2470785 | 0.86 | TLR4 (0.51) | MAPK1MCL1CYP2D6TLR4HSD17B10 | |
| SCHEMBL276016 | 0.86 | TLR4 (0.51) | MAPK1MCL1CYP2D6TLR4HSD17B10 | |
| SCHEMBL26679308 | 0.85 | MAPK1 (0.40) | MAPK1TLR4KDM4EALDH1A1HPGD |
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-2023220559-A2 | CATALYST-CONTROLLED SITE-SELECTIVE METHYLENE C-H LACTONIZATION OF DICARBOXYLIC ACIDS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2023-11-16 | — | — | WO | disclosed |