Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 2/20 | 0.47 |
| ▸ | MLLT1 | Q03111 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 5/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESRRG | P62508 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.40 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| SCHEMBL30081081 | 0.82 | XDH (0.53) | XDHKMT2AAKR1B1LMNAKDM4E | |
| SCHEMBL28873084 | 0.82 | XDH (0.53) | XDHKMT2AAKR1B1LMNAKDM4E | |
| SCHEMBL28297822 | 0.79 | XDH (0.57) | XDHNPC1RAB9AKMT2AESR1 | |
| SCHEMBL30081083 | 0.79 | XDH (0.57) | XDHNPC1RAB9AKMT2AESR1 | |
| SCHEMBL28873080 | 0.77 | RAB9A (0.53) | NPC1RAB9AKMT2AAKR1B1AKR1B10 | |
| SCHEMBL30081073 | 0.77 | XDH (0.53) | XDHKMT2AESR1ESR2AKR1B1 | |
| SCHEMBL28299262 | 0.77 | XDH (0.53) | XDHKMT2AESR1ESR2AKR1B1 | |
| SCHEMBL28873088 | 0.77 | XDH (0.48) | XDHNPC1RAB9AKMT2AESRRG | |
| SCHEMBL28957483 | 0.76 | XDH (0.50) | XDHNPC1RAB9AKMT2AESR1 | |
| SCHEMBL28873069 | 0.76 | NAAA (0.52) | XDHAKR1B1AKR1B10MAOBLMNA |
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-109721579-B | 7, 8-dehydrograpevine derivatives, preparation method, pharmaceutical composition and use thereof | 中国医学科学院药物研究所 | 2022-11-04 | — | — | CN | disclosed |