Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.78 |
| ▸ | MEN1 | O00255 | 5/20 | 0.78 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.78 |
| ▸ | USP2 | O75604 | 1/20 | 0.78 |
| ▸ | CDK4 | P11802 | 1/20 | 0.78 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.78 |
| ▸ | CCND1 | P24385 | 1/20 | 0.78 |
| ▸ | MAPT | P10636 | 3/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.62 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.62 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.62 |
| ▸ | POLB | P06746 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.60 |
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | TRPM5 | Q9NZQ8 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7213519 | 1.00 | ALDH1A1 (0.78) | ALDH1A1MEN1KMT2AUSP2CDK4 | |
| SCHEMBL5660958 | 0.89 | ALDH1A1 (0.72) | ALDH1A1MEN1KMT2AUSP2CDK4 | |
| SCHEMBL11784633 | 0.89 | ALDH1A1 (0.68) | ALDH1A1MEN1KMT2AUSP2CDK4 | |
| SCHEMBL7940135 | 0.88 | ALDH1A1 (1.00) | ALDH1A1MEN1KMT2AUSP2CDK4 | |
| SCHEMBL25366135 | 0.81 | ALDH1A1 (0.78) | ALDH1A1MEN1KMT2AUSP2CDK4 | |
| SCHEMBL3131059 | 0.81 | ALDH1A1 (0.78) | ALDH1A1MEN1KMT2AUSP2CDK4 | |
| SCHEMBL14059746 | 0.81 | ALDH1A1 (0.78) | ALDH1A1MEN1KMT2AUSP2CDK4 | |
| SCHEMBL1811216 | 0.81 | ALDH1A1 (0.78) | ALDH1A1MEN1KMT2AUSP2CDK4 | |
| SCHEMBL3131072 | 0.81 | ALDH1A1 (0.78) | ALDH1A1MEN1KMT2AUSP2CDK4 | |
| SCHEMBL4935582 | 0.81 | ALDH1A1 (0.78) | ALDH1A1MEN1KMT2AUSP2CDK4 |
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-114671880-A | Synthesis and application of indole-2, 3-dinitrile antitumor compound containing aliphatic amino | 大连理工大学 | 2022-06-28 | — | — | CN | claimed |
| CN-114671880-A | Synthesis and application of indole-2, 3-dinitrile antitumor compound containing aliphatic amino | 大连理工大学 | 2022-06-28 | — | — | CN | disclosed |
| CN-112745256-B | Preparation method of 4- (2-bromoethyl) -1, 3-dihydro-2H-indol-2-one | 常州锐博生物科技有限公司 | 2022-03-11 | — | — | CN | disclosed |