Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 2/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.41 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.41 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.41 |
| ▸ | BCL2 | P10415 | 1/20 | 0.41 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 5/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30539482 | 1.00 | ALDH1A1 (0.48) | ALDH1A1HTR2ACALM1CASP3SENP7 | |
| SCHEMBL678579 | 0.92 | CALM1 (0.50) | ALDH1A1HTR2ACALM1BCL2BCL2L1 | |
| SCHEMBL29100452 | 0.86 | TP53 (0.45) | ALDH1A1HTR2ACALM1BCL2BCL2L1 | |
| SCHEMBL30539479 | 0.86 | TP53 (0.45) | ALDH1A1HTR2ACALM1BCL2BCL2L1 | |
| SCHEMBL11503611 | 0.85 | ALDH1A1 (0.41) | ALDH1A1HTR2ACALM1CASP3SENP7 | |
| SCHEMBL31251922 | 0.78 | ALDH1A1 (0.34) | ALDH1A1HTR2ACASP3SENP7SENP6 | |
| SCHEMBL24815612 | 0.78 | ALDH1A1 (0.50) | ALDH1A1CASP3SENP7SENP6SENP8 | |
| SCHEMBL17923161 | 0.78 | ALDH1A1 (0.50) | ALDH1A1CASP3SENP7SENP6SENP8 | |
| SCHEMBL21524964 | 0.78 | ALDH1A1 (0.50) | ALDH1A1CASP3SENP7SENP6SENP8 | |
| SCHEMBL439991 | 0.78 | CALM1 (0.44) | HTR2ACALM1BCL2BCL2L1MEN1 |
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-116815207-A | Electrochemical synthesis method of 2H-indazole compound | 淮北师范大学 | 2023-09-29 | — | — | CN | disclosed |