Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | LHCGR | P22888 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | FPR1 | P21462 | 2/20 | 0.34 |
| ▸ | FPR2 | P25090 | 2/20 | 0.34 |
| ▸ | KDR | P35968 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28617934 | 0.95 | ALDH1A1 (0.39) | ALDH1A1LMNATP53HPGDHTT | |
| SCHEMBL28617961 | 0.94 | ALDH1A1 (0.40) | ALDH1A1LMNATP53HPGDHTT | |
| SCHEMBL28919939 | 0.91 | MAPT (0.40) | ALDH1A1LMNAPOLBTP53HPGD | |
| SCHEMBL28612665 | 0.91 | ALDH1A1 (0.40) | ALDH1A1LMNAHTTNPC1RAB9A | |
| SCHEMBL28598799 | 0.90 | IDH1 (0.38) | ALDH1A1LMNAPOLBTP53HPGD | |
| SCHEMBL28598858 | 0.90 | IDH1 (0.38) | ALDH1A1LMNAPOLBTP53HPGD | |
| SCHEMBL28599093 | 0.90 | LIG1 (0.39) | ALDH1A1POLBHTTP2RY1RAB9A | |
| SCHEMBL28612431 | 0.90 | FPR2 (0.45) | MEN1KMT2AFPR1FPR2 | |
| SCHEMBL28604211 | 0.89 | FPR2 (0.46) | MEN1KMT2AFPR1FPR2 | |
| SCHEMBL28608069 | 0.87 | JAK3 (0.42) | ALDH1A1POLBTP53NPC1RAB9A |
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-108558756-B | 2-aryl-2, 3-dihydro-4 (1H) -quinolinone semicarbazone compound and application thereof | 沈阳药科大学 | 2021-08-03 | — | — | CN | claimed |