Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | HPGD | P15428 | 6/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 6/20 | 0.34 |
| ▸ | NPC1 | O15118 | 5/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7806927 | 0.91 | HPGD (0.41) | ALDH1A1HPGDSMN1; SMN2KMT2AMEN1 | |
| SCHEMBL7806863 | 0.88 | HRH3 (0.35) | ALDH1A1HPGDKMT2AMEN1NR1I2 | |
| SCHEMBL7799453 | 0.84 | HPGD (0.39) | ALDH1A1HPGDSMN1; SMN2KMT2AMEN1 | |
| SCHEMBL7804882 | 0.83 | HPGD (0.38) | ALDH1A1HPGDSMN1; SMN2KMT2AMEN1 | |
| SCHEMBL7806159 | 0.83 | ALDH1A1 (0.36) | ALDH1A1HPGDSMN1; SMN2KMT2AMEN1 | |
| SCHEMBL7809959 | 0.82 | SMN1; SMN2 (0.39) | ALDH1A1SMN1; SMN2KMT2ANR1I2F2 | |
| SCHEMBL7806169 | 0.80 | NR1I2 (0.34) | ALDH1A1KMT2AMEN1NR1I2F2 | |
| SCHEMBL6563662 | 0.80 | F10 (0.41) | HPGDKMT2AMEN1F2 | |
| SCHEMBL7809950 | 0.79 | PIK3CA (0.40) | ALDH1A1SMN1; SMN2NR1I2F2ADORA3 | |
| SCHEMBL7806152 | 0.78 | HRH3 (0.37) | ALDH1A1NR1I2F2ADORA3SLC6A2 |
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-1140802-A1 | SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES | BOEHRINGER INGELHEIM KG (DE) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000035859-A1 | SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2000-06-22 | — | — | WO | disclosed |