Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | ICMT | O60725 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.35 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.35 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.35 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.35 |
| ▸ | CCR2 | P41597 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.34 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28237309 | 0.81 | LMNA (0.41) | KDM4EALDH1A1CYP1A2POLBL3MBTL1 | |
| SCHEMBL11390081 | 0.78 | CA12 (0.43) | KDM4ETP53ALDH1A1CYP1A2POLB | |
| SCHEMBL28165401 | 0.77 | KDM4E (0.37) | KDM4ETP53ALDH1A1ICMTCYP1A2 | |
| SCHEMBL28236114 | 0.76 | LMNA (0.46) | KDM4ETP53ALDH1A1CYP1A2POLB | |
| SCHEMBL28948108 | 0.76 | CCR2 (0.60) | KDM4ETP53ALDH1A1CYP1A2POLB | |
| SCHEMBL26670720 | 0.73 | CNR2 (0.39) | KDM4ETP53ALDH1A1CYP1A2POLB | |
| SCHEMBL28438110 | 0.72 | ALDH1A1 (0.39) | KDM4ETP53ALDH1A1CYP1A2POLB | |
| SCHEMBL4802191 | 0.72 | CCR2 (0.59) | KDM4EALDH1A1POLBPPARGCCR2 | |
| SCHEMBL31402270 | 0.72 | CCR2 (0.59) | KDM4EALDH1A1POLBPPARGCCR2 | |
| SCHEMBL31487010 | 0.72 | CNR2 (0.47) | KDM4ETP53ALDH1A1CYP1A2POLB |
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-106928121-B | High-efficiency preparation method of 3-substituted-benzo five-membered heterocycle-2-carbonyl compound | 暨南大学 | 2020-05-12 | — | — | CN | claimed |
| CN-105732470-B | The high efficiency preparation method of 3- fluoro-indole-2-carbonyl compound | 暨南大学 | 2018-07-31 | — | — | CN | claimed |
| CN-106928121-B | High-efficiency preparation method of 3-substituted-benzo five-membered heterocycle-2-carbonyl compound | 暨南大学 | 2020-05-12 | — | — | CN | disclosed |