Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7896888 | 1.00 | ALDH1A1 (0.40) | ALDH1A1KDM4EGAAL3MBTL1POLB | |
| SCHEMBL13571237 | 0.80 | ALDH1A1 (0.39) | ALDH1A1KDM4EMAPTHPGDLMNA | |
| SCHEMBL29173655 | 0.78 | ALDH1A1 (0.42) | ALDH1A1KDM4EGAAL3MBTL1POLB | |
| SCHEMBL17548935 | 0.76 | ESR1 (0.46) | ALDH1A1KDM4EGAAL3MBTL1POLB | |
| SCHEMBL7894154 | 0.75 | LMNA (0.48) | ALDH1A1KDM4EL3MBTL1KMT2AMEN1 | |
| SCHEMBL15464963 | 0.75 | TRPV4 (0.47) | ALDH1A1KDM4EL3MBTL1MAPTNPC1 | |
| SCHEMBL7894156 | 0.75 | LMNA (0.48) | ALDH1A1KDM4EL3MBTL1KMT2AMEN1 | |
| SCHEMBL15471964 | 0.75 | TRPV4 (0.47) | ALDH1A1KDM4EL3MBTL1MAPTNPC1 | |
| SCHEMBL30275110 | 0.75 | TRPV4 (0.47) | ALDH1A1KDM4EL3MBTL1MAPTNPC1 | |
| SCHEMBL1329770 | 0.74 | ALDH1A1 (0.51) | ALDH1A1KDM4EGAAPOLBPKM |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1151990-A1 | Substituted N-arylmethylamino derivatives of cyclobutene-3, 4-diones | AMERICAN HOME PRODUCTS CORPORATION (US) | 2001-11-07 | — | — | EP | disclosed |
| CN-1230173-A | Substituted N-arylmethylamino derivatives of cyclobutene-3,-4-diones | AMERICAN HOME PROD (US) | 1999-09-29 | — | — | CN | disclosed |
| EP-0934257-A1 | SUBSTITUTED N-ARYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1999-08-11 | — | — | EP | disclosed |
| US-5780505-A | ADMINISTERING AS SMOOTH MUSCLE RELAXANT | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-07-14 | — | — | US | disclosed |
| WO-1998002413-A1 | SUBSTITUTED N-ARYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-01-22 | — | — | WO | disclosed |