Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11586044 | 0.78 | TDP1 (0.44) | TDP1SMN1; SMN2HAO1POLBL3MBTL1 | |
| SCHEMBL25141394 | 0.78 | TDP1 (0.38) | TDP1PKMSMN1; SMN2HAO1POLB | |
| SCHEMBL11657381 | 0.76 | ACHE (0.50) | TDP1PKMSMN1; SMN2POLBNPC1 | |
| SCHEMBL16508363 | 0.74 | TDP1 (0.46) | TDP1SMN1; SMN2HAO1POLBL3MBTL1 | |
| SCHEMBL11592055 | 0.74 | TDP1 (0.46) | TDP1SMN1; SMN2HAO1POLBL3MBTL1 | |
| SCHEMBL83318 | 0.72 | CA12 (0.53) | TDP1PKMHAO1L3MBTL1NPC1 | |
| SCHEMBL29352597 | 0.72 | CA12 (0.53) | TDP1PKMHAO1L3MBTL1NPC1 | |
| SCHEMBL19399310 | 0.71 | CA12 (0.41) | TDP1SMN1; SMN2L3MBTL1NPC1MAPT | |
| SCHEMBL29096230 | 0.70 | CA12 (0.54) | TDP1PKMSMN1; SMN2HAO1L3MBTL1 | |
| SCHEMBL47874 | 0.69 | KMT2A (0.57) | TDP1SMN1; SMN2HAO1L3MBTL1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4190769-A1 | APPLICATION OF POLYDENTATE PHOSPHITE LIGAND IN CATALYTIC SYNTHESIS OF ADIPONITRILE | Zhejiang University (CN) | 2023-06-07 | — | — | EP | disclosed |