Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 7/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP7 | P09237 | 1/20 | 0.41 |
| ▸ | MMP14 | P50281 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20145385 | 0.90 | LMNA (0.61) | KMT2ALMNAHSD11B1ALDH1A1MAPT | |
| SCHEMBL27396749 | 0.84 | ALDH1A1 (0.47) | KMT2ALMNAALDH1A1MAPTMAPK1 | |
| SCHEMBL5080063 | 0.83 | HSD11B1 (0.58) | KMT2ALMNAHSD11B1ALDH1A1MAPT | |
| SCHEMBL25062005 | 0.81 | LMNA (0.58) | KMT2ALMNAHSD11B1ALDH1A1MAPT | |
| SCHEMBL28873529 | 0.81 | HSD11B1 (0.51) | KMT2ALMNAHSD11B1ALDH1A1CA12 | |
| SCHEMBL24106535 | 0.80 | CYP3A4 (0.53) | KMT2AALDH1A1MAPTMAPK1L3MBTL1 | |
| SCHEMBL24106416 | 0.80 | TDP1 (0.42) | KMT2AHSD11B1TDP1FFAR1 | |
| SCHEMBL3182773 | 0.80 | HSD11B1 (0.53) | KMT2AHSD11B1ALDH1A1MAPTL3MBTL1 | |
| SCHEMBL6696083 | 0.77 | ALDH1A1 (0.61) | KMT2ALMNAALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL824071 | 0.77 | ALDH1A1 (0.53) | KMT2ALMNAALDH1A1MAPTMAPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109776324-A | Homoallyltrifluoromethyl compound and preparation method thereof | 南京工业大学 | 2019-05-21 | — | — | CN | claimed |
| CN-109776324-B | Homoallyltrifluoromethyl compound and preparation method thereof | 南京工业大学 | 2021-09-03 | — | — | CN | disclosed |
| CN-109776324-A | Homoallyltrifluoromethyl compound and preparation method thereof | 南京工业大学 | 2019-05-21 | — | — | CN | disclosed |