Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.45 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.45 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.45 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.45 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.45 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.45 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | MAP2 | P11137 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | GHSR | Q92847 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29246687 | 0.77 | KMT2A (0.45) | MEN1KMT2AGABRA1GABRG2GABRB3 | |
| SCHEMBL5756220 | 0.76 | EGFR (0.48) | MEN1KMT2AGABRA1GABRG2GABRB3 | |
| SCHEMBL24196180 | 0.74 | GABRA1 (0.56) | MEN1KMT2AGABRA1GABRG2GABRB3 | |
| Propionic Acid SCHEMBL27761616 | 0.74 | ALDH1A1 (0.47) | MEN1KMT2ACNR1RAB9AEGFR | |
| SCHEMBL28466204 | 0.74 | EGFR (0.45) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL10067361 | 0.73 | KMT2A (0.50) | MEN1KMT2AKEAP1NFE2L2NPC1 | |
| SCHEMBL15101537 | 0.72 | TSHR (0.52) | MEN1KMT2AGABRA1GABRG2GABRB3 | |
| SCHEMBL2730323 | 0.71 | ALDH1A1 (0.59) | MEN1KMT2AKEAP1NFE2L2TSHR | |
| SCHEMBL24196586 | 0.71 | GABRA1 (0.50) | MEN1KMT2AGABRA1GABRG2GABRB3 | |
| SCHEMBL27782143 | 0.71 | ALDH1A1 (0.43) | EGFR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101560153-A | 7,7,7-trifluoromethyl-6-carbonyl methyl heptanoate, 5-fluoro-2-trifluoromethyl-3-methyl indole butyrate and synthesis method thereof | UNIV SHANGHAI (CN) | 2009-10-21 | — | — | CN | disclosed |
| CN-101560153-A | 7,7,7-trifluoromethyl-6-carbonyl methyl heptanoate, 5-fluoro-2-trifluoromethyl-3-methyl indole butyrate and synthesis method thereof | UNIV SHANGHAI (CN) | 2009-10-21 | — | — | CN | disclosed |