Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | SRC | P12931 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ESRRB | O95718 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8845741 | 0.82 | KMT2A (0.55) | KMT2ATSHRCES2LMNACES1 | |
| SCHEMBL2097359 | 0.82 | KMT2A (0.55) | KMT2ATSHRCES2LMNACES1 | |
| SCHEMBL9692286 | 0.81 | KMT2A (0.50) | KMT2ATSHRLMNAPTGS1PTGS2 | |
| SCHEMBL1549080 | 0.80 | CES1 (0.62) | KMT2ATSHRCES2LMNACES1 | |
| SCHEMBL16453798 | 0.80 | KMT2A (0.53) | KMT2ATSHRCES2LMNACES1 | |
| SCHEMBL7735376 | 0.80 | KMT2A (0.53) | KMT2ATSHRCES2LMNACES1 | |
| SCHEMBL9692743 | 0.79 | KMT2A (0.49) | KMT2ATSHRCES2LMNACES1 | |
| SCHEMBL9692750 | 0.79 | KMT2A (0.49) | KMT2ATSHRCES2LMNACES1 | |
| SCHEMBL7838107 | 0.79 | KMT2A (0.53) | KMT2ATSHRLMNACES1PTGS1 | |
| SCHEMBL5906509 | 0.79 | KMT2A (0.49) | KMT2ATSHRCES2LMNACES1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108911980-B | Method for kinetic resolution of alpha-hydroxy-beta-dicarbonyl compound enantiomer under micro-reaction condition or conventional reaction condition | 吉林大学 | 2021-06-29 | — | — | CN | disclosed |
| CN-109776610-B | Chiral P, N, N ligand compound based on phenylethylamine skeleton, preparation method and application | 中国科学院大连化学物理研究所 | 2021-05-14 | — | — | CN | disclosed |
| CN-107522751-B | High-steric-hindrance chiral ferrocene P, N, N ligand, preparation method and application | 中国科学院大连化学物理研究所 | 2020-01-21 | — | — | CN | disclosed |
| CN-107522751-A | A kind of high steric-hindrance amino chiral ferrocene P, N, N part and preparation method and application | 中国科学院大连化学物理研究所 | 2017-12-29 | — | — | CN | disclosed |
| WO-2004007417-A1 | ENZYME INHIBITORS | THE AUSTRALIAN NATIONAL UNIVERSITY (AU) | 2004-01-22 | — | — | WO | disclosed |