Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | EGFR | P00533 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | ACP3 | P15309 | 2/20 | 0.42 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | PLK1 | P53350 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | IDH1 | O75874 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7922652 | 0.77 | PTGS1 (0.40) | ALDH1A1KMT2AMEN1SMN1; SMN2LMNA | |
| SCHEMBL3172125 | 0.75 | ALDH1A1 (1.00) | ALDH1A1EGFRKMT2AMEN1MAPT | |
| SCHEMBL15137443 | 0.75 | ALDH1A1 (1.00) | ALDH1A1EGFRKMT2AMEN1MAPT | |
| SCHEMBL15004002 | 0.75 | ALDH1A1 (1.00) | ALDH1A1EGFRKMT2AMEN1MAPT | |
| SCHEMBL11221573 | 0.72 | ALDH1A1 (0.86) | ALDH1A1KMT2AMEN1MAPTPKM | |
| SCHEMBL17186397 | 0.71 | ALDH1A1 (0.68) | ALDH1A1KMT2AMEN1MAPTPKM | |
| SCHEMBL17186620 | 0.71 | ALDH1A1 (0.68) | ALDH1A1KMT2AMEN1MAPTPKM | |
| SCHEMBL17186621 | 0.71 | ALDH1A1 (0.68) | ALDH1A1KMT2AMEN1MAPTPKM | |
| SCHEMBL17186493 | 0.71 | ALDH1A1 (0.68) | ALDH1A1KMT2AMEN1MAPTPKM | |
| SCHEMBL17193735 | 0.71 | ALDH1A1 (0.68) | ALDH1A1KMT2AMEN1MAPTPKM |
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-1135365-A1 | 4-3-SUBSTITUTED-AMINO-CYCLOBUT-3-ENE-1,2-DIONES AND USE FOR INFLUENCING SMOOTH MUSCLE CONTRACTION | AMERICAN HOME PRODUCTS CORPORATION (US) | 2001-09-26 | — | — | EP | disclosed |
| WO-2000034230-A1 | 4-3-SUBSTITUTED-AMINO-CYCLOBUT-3-ENE-1,2-DIONES AND USE FOR INFLUENCING SMOOTH MUSCLE CONTRACTION | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-06-15 | — | — | WO | disclosed |