Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | PTPRC | P08575 | 2/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 2/20 | 0.31 |
| ▸ | MAOB | P27338 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20138901 | 1.00 | ALDH1A1 (0.40) | ALDH1A1TDP1MAPK1NPC1MEN1 | |
| SCHEMBL6255341 | 0.87 | MEN1 (0.30) | TDP1MEN1KMT2A | |
| SCHEMBL31424212 | 0.87 | MEN1 (0.30) | TDP1MEN1KMT2A | |
| SCHEMBL30753777 | 0.86 | PTPRC (0.40) | ALDH1A1TDP1MAPK1CYP2A6PTPRC | |
| SCHEMBL17791418 | 0.86 | PTPRC (0.40) | ALDH1A1TDP1MAPK1CYP2A6PTPRC | |
| SCHEMBL11978739 | 0.86 | PTPRC (0.40) | ALDH1A1TDP1MAPK1CYP2A6PTPRC | |
| SCHEMBL25937361 | 0.85 | PTPRC (0.43) | ALDH1A1TDP1MAPK1CYP2A6PTPRC | |
| SCHEMBL17877143 | 0.84 | ALDH1A1 (0.44) | ALDH1A1TDP1MAPK1NPC1MEN1 | |
| SCHEMBL20087474 | 0.84 | MAPK1 (0.33) | ALDH1A1MAPK1NPC1MEN1KMT2A | |
| SCHEMBL25643746 | 0.84 | THRB (0.33) | TDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4451832-A2 | HETEROAROMATIC COMPOUNDS | Merck Patent GmbH (DE) | 2024-10-23 | — | — | EP | disclosed |
| EP-3728275-B1 | HETEROAROMATIC COMPOUNDS | MERCK PATENT GMBH (DE) | 2024-09-04 | — | — | EP | disclosed |