Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 11/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 6/20 | 0.45 |
| ▸ | ABCC1 | P33527 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1747968 | 0.89 | NPC1 (0.45) | CHEK1NPC1RAB9ASMN1; SMN2ABCB1 | |
| SCHEMBL5003263 | 0.80 | CHEK1 (0.48) | CHEK1ABCB1ABCC1CYP3A4 | |
| SCHEMBL4098160 | 0.78 | SRD5A2 (0.44) | SMN1; SMN2MEN1KMT2A | |
| SCHEMBL11224598 | 0.77 | CHEK1 (0.61) | CHEK1ABCB1ABCC1CYP3A4 | |
| SCHEMBL30423771 | 0.76 | ALDH1A1 (0.61) | CHEK1ABCB1ABCC1 | |
| SCHEMBL359057 | 0.76 | ALDH1A1 (0.61) | CHEK1ABCB1ABCC1 | |
| SCHEMBL16701438 | 0.75 | CHEK1 (0.54) | CHEK1ABCB1ABCC1 | |
| SCHEMBL2946295 | 0.74 | CHEK1 (0.50) | CHEK1NPC1RAB9ASMN1; SMN2CYP3A4 | |
| SCHEMBL2946298 | 0.74 | CHEK1 (0.50) | CHEK1NPC1RAB9ASMN1; SMN2CYP3A4 | |
| SCHEMBL4525042 | 0.74 | CHEK1 (0.46) | CHEK1ABCB1ABCC1 |
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-1633722-A2 | PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY | Bayer Pharmaceuticals Corporation (US) | 2006-03-15 | — | — | EP | disclosed |
| WO-2004100881-A2 | PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY | BAYER PHARMACEUTICALS CORPORATION (US) | 2004-11-25 | — | — | WO | disclosed |