Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | GSK3B | P49841 | 2/20 | 0.40 |
| ▸ | ICMT | O60725 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MITF | O75030 | 1/20 | 0.37 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28441417 | 0.83 | ALDH1A1 (0.43) | ALDH1A1HPGDGSK3BICMTLMNA | |
| SCHEMBL28435572 | 0.81 | KMT2A (0.44) | ALDH1A1HPGDLMNAMEN1KMT2A | |
| SCHEMBL28165051 | 0.80 | ALDH1A1 (0.51) | ALDH1A1HPGDLMNAMEN1KMT2A | |
| SCHEMBL28433232 | 0.80 | HTT (0.42) | ALDH1A1HPGDLMNAMEN1KMT2A | |
| SCHEMBL28444190 | 0.77 | LMNA (0.40) | ALDH1A1LMNAMEN1KMT2APOLB | |
| SCHEMBL20840111 | 0.77 | TSHR (0.46) | ALDH1A1HPGDLMNAMEN1KMT2A | |
| SCHEMBL28433238 | 0.76 | CYP19A1 (0.58) | ALDH1A1LMNAMEN1KMT2APOLB | |
| SCHEMBL13904441 | 0.75 | ALDH1A1 (0.58) | ALDH1A1HPGDGSK3BICMTKDM4E | |
| SCHEMBL28438221 | 0.75 | ALDH1A1 (0.37) | ALDH1A1LMNAMEN1KMT2APOLB | |
| SCHEMBL10338585 | 0.74 | ALDH1A1 (0.45) | ALDH1A1HPGDGSK3BICMTLMNA |
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-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 |