Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | MGAM | O43451 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SI | P14410 | 1/20 | 0.42 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.42 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.42 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.41 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL56546 | 0.97 | — | — | |
| Acetic Acid SCHEMBL28138458 | 0.90 | ALDH1A1 (0.46) | ALDH1A1LMNAHSD17B10PKMKDM4E | |
| Trichloroacetic Acid SCHEMBL28680224 | 0.90 | ALDH1A1 (0.48) | ALDH1A1LMNAHSD17B10PKMKDM4E | |
| Hexane SCHEMBL27932185 | 0.88 | MEN1 (0.49) | ALDH1A1LMNAHSD17B10PKMKDM4E | |
| Hydrochloric Acid SCHEMBL9066241 | 0.88 | ALDH1A1 (0.40) | ALDH1A1LMNAHSD17B10PKMKDM4E | |
| Bicarbonate SCHEMBL9390375 | 0.88 | ALDH1A1 (0.40) | ALDH1A1LMNAHSD17B10PKMKDM4E | |
| Hydrochloric Acid SCHEMBL9065668 | 0.84 | CYP4F2 (0.39) | ALDH1A1LMNAHSD17B10PKMKDM4E | |
| Propene SCHEMBL9081847 | 0.84 | ALDH1A1 (0.37) | ALDH1A1LMNAHSD17B10PKMKDM4E | |
| SCHEMBL3160237 | 0.81 | ALDH1A1 (0.48) | ALDH1A1LMNAHSD17B10PKMKDM4E | |
| Ether SCHEMBL9254589 | 0.81 | CYP4F2 (0.41) | ALDH1A1LMNAHSD17B10PKMKDM4E |
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-106132971-B | Fluoro-alkyl organosilicon | 3M创新有限公司 | 2019-10-01 | — | — | CN | disclosed |
| CN-106132971-A | Fluoro-alkyl organosilicon | 3M创新有限公司 | 2016-11-16 | — | — | CN | disclosed |