Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.37 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.37 |
| ▸ | TUBB | P07437 | 1/20 | 0.37 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.37 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.37 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.37 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29966865 | 0.84 | KMT2A (0.43) | PKMHTR1AALDH1A1AURKAKMT2A | |
| SCHEMBL29966351 | 0.84 | MAPT (0.45) | PKMHTR1AMAPTKMT2AGPR84 | |
| SCHEMBL28480579 | 0.77 | ALDH1A1 (0.50) | ALDH1A1KMT2AKDM4E | |
| SCHEMBL11189539 | 0.75 | HTR2A (0.39) | HTR1AKMT2AGPR84 | |
| SCHEMBL3374948 | 0.75 | HTR1A (0.46) | PKMHTR1AALDH1A1AURKAKMT2A | |
| SCHEMBL15529093 | 0.75 | GPR84 (0.38) | PKMHTR1AALDH1A1MAPTAURKA | |
| SCHEMBL1880678 | 0.74 | HTR1A (0.46) | HTR1AALDH1A1KMT2AGPR84CYP1A2 | |
| SCHEMBL6417970 | 0.74 | NUDT1 (0.57) | ALDH1A1AURKAKMT2ANUDT1TUBB4A | |
| SCHEMBL25269621 | 0.73 | GAA (0.43) | ALDH1A1MAPTKMT2ACYP1A2CYP3A4 | |
| SCHEMBL5015869 | 0.73 | PKM (0.45) | PKMALDH1A1MAPTAURKASMN1; SMN2 |
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-115260173-A | Cyclopentanoindole branched-chain acid derivative and preparation method and application thereof | 厦门宝太生物科技股份有限公司 | 2022-11-01 | — | — | CN | disclosed |