Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | NQO2 | P16083 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | XBP1 | P17861 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6187932 | 0.89 | RECQL (0.50) | RECQLIDO1ALDH1A1HPGDKDM4E | |
| SCHEMBL6189525 | 0.83 | CA1 (0.45) | IDO1ALDH1A1HPGDHTTMEN1 | |
| SCHEMBL30313133 | 0.81 | ALDH1A1 (0.55) | NQO2IDO1ALDH1A1HPGDHTT | |
| SCHEMBL3658450 | 0.81 | ALDH1A1 (0.55) | NQO2IDO1ALDH1A1HPGDHTT | |
| SCHEMBL6192699 | 0.81 | KDM4E (0.47) | NQO2IDO1ALDH1A1HPGDHTT | |
| SCHEMBL31250995 | 0.78 | NQO2 (0.56) | NQO2IDO1HPGDHTTMEN1 | |
| SCHEMBL1231492 | 0.78 | NQO2 (0.56) | NQO2IDO1HPGDHTTMEN1 | |
| SCHEMBL24086511 | 0.78 | NQO2 (0.53) | NQO2IDO1MEN1KMT2ALMNA | |
| SCHEMBL8199082 | 0.77 | NQO2 (0.44) | NQO2IDO1MEN1KMT2ALMNA | |
| SCHEMBL6094751 | 0.77 | NQO2 (0.55) | NQO2IDO1MEN1KMT2ALMNA |
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-0979227-B1 | 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS | TAKEDA PHARMACEUTICAL (JP) | 2005-11-16 | — | — | EP | disclosed |
| US-6352982-B1 | TREATING DIABETES, OBESITY, OR INVETERATE DIARRHEA IN A MAMMAL WHICH COMPRISES ADMINISTERING AN EFFECTIVE AMOUNT OF A COMPOUND OF | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2002-03-05 | — | — | US | disclosed |