Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | NSD2 | O96028 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| Isopropylbenzene SCHEMBL27834372 | 0.82 | RXRA (0.50) | LMNAALDH1A1KDM4EMEN1ALOX12 | |
| Benzene SCHEMBL27546363 | 0.81 | KDM4E (0.55) | ALDH1A1KDM4EMEN1KMT2AESR1 | |
| SCHEMBL27356485 | 0.80 | ACE2 (0.43) | ALDH1A1KDM4EMEN1KMT2ANSD2 | |
| Butane SCHEMBL27422579 | 0.80 | TSHR (0.47) | ALDH1A1KDM4EMEN1KMT2ANSD2 | |
| Alcohol SCHEMBL27614988 | 0.80 | TSHR (0.47) | ALDH1A1KDM4EMEN1KMT2ANSD2 | |
| SCHEMBL69633 | 0.79 | TSHR (0.53) | ALDH1A1KDM4EMEN1KMT2AESR1 | |
| Naphthalene SCHEMBL27658434 | 0.78 | KDM4E (0.53) | ALDH1A1KDM4ETDP1NR1H4HSD17B10 | |
| Biphenyl SCHEMBL27658037 | 0.78 | KMO (0.53) | ALDH1A1KDM4EMEN1KMT2ANR1H4 | |
| SCHEMBL11664352 | 0.78 | TSHR (0.52) | ALDH1A1KDM4EMEN1KMT2AESR1 | |
| SCHEMBL28858438 | 0.78 | TSHR (0.52) | ALDH1A1KDM4EMEN1KMT2AESR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106518663-A | Method for preparing alpha-acyloxy ketone compound | 曲阜师范大学 | 2017-03-22 | — | — | CN | disclosed |