Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | CES2 | O00748 | 3/20 | 0.45 |
| ▸ | CES1 | P23141 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL24394635 | 0.86 | ALDH1A1 (0.50) | ALDH1A1CES2CES1LMNASMN1; SMN2 | |
| SCHEMBL24394644 | 0.82 | CES2 (0.39) | ALDH1A1CES2CES1TDP1NPSR1 | |
| SCHEMBL7990738 | 0.78 | ALDH1A1 (0.50) | ALDH1A1CES2CES1LMNASMN1; SMN2 | |
| SCHEMBL24394637 | 0.75 | HSD11B1 (0.51) | ALDH1A1CES2CES1LMNASMN1; SMN2 | |
| SCHEMBL7990725 | 0.73 | ALDH1A1 (0.45) | ALDH1A1CES2CES1LMNASMN1; SMN2 | |
| SCHEMBL5691184 | 0.72 | ALDH1A1 (0.59) | ALDH1A1CES2CES1LMNASMN1; SMN2 | |
| SCHEMBL13536412 | 0.70 | ALDH1A1 (0.56) | ALDH1A1CES2CES1LMNASMN1; SMN2 | |
| SCHEMBL4269458 | 0.70 | ALDH1A1 (0.56) | ALDH1A1CES2CES1LMNASMN1; SMN2 | |
| SCHEMBL777939 | 0.69 | ALDH1A1 (0.54) | ALDH1A1CES2CES1LMNASMN1; SMN2 | |
| SCHEMBL16358251 | 0.69 | ALDH1A1 (0.54) | ALDH1A1CES2CES1LMNASMN1; 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 |
|---|---|---|---|---|---|---|---|
| WO-2022094218-A1 | PROCESS FOR THE PREPARATION OF HETEROARYL-SUBSTITUTED SULFUR(VI) COMPOUNDS | H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) | 2022-05-05 | — | — | WO | disclosed |