Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | NQO2 | P16083 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22797130 | 0.89 | CA12 (0.40) | ALDH1A1HTTNPSR1LMNATDP1 | |
| SCHEMBL19983766 | 0.80 | ALDH1A1 (0.46) | ALDH1A1HTTNPSR1LMNATDP1 | |
| SCHEMBL14980676 | 0.78 | RECQL (0.52) | ALDH1A1SMN1; SMN2CES2CES1NQO2 | |
| SCHEMBL10151288 | 0.78 | CES2 (0.39) | CES2CES1NQO2SLC22A2SLC22A1 | |
| SCHEMBL16922640 | 0.77 | ALDH1A1 (0.43) | ALDH1A1HTTNPSR1LMNATDP1 | |
| SCHEMBL4535484 | 0.77 | F2 (0.48) | ALDH1A1TDP1PKMMEN1KMT2A | |
| SCHEMBL14330666 | 0.77 | ALDH1A1 (0.43) | ALDH1A1HTTNPSR1LMNATDP1 | |
| SCHEMBL19635695 | 0.77 | ALDH1A1 (0.46) | ALDH1A1HTTNPSR1LMNATDP1 | |
| SCHEMBL26345894 | 0.76 | PARP1 (0.53) | TDP1SMN1; SMN2HPGDMEN1KMT2A | |
| SCHEMBL20258403 | 0.76 | ALDH1A1 (0.44) | ALDH1A1HTTNPSR1LMNATDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022044038-A1 | AUTOMATED DIAZOMETHANE GENERATOR, REACTOR AND SOLID PHASE QUENCHER | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2022-03-03 | — | — | WO | disclosed |