Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 10/20 | 0.48 |
| ▸ | ABCB1 | P08183 | 8/20 | 0.44 |
| ▸ | ABCC1 | P33527 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5007308 | 0.81 | ALDH1A1 (0.51) | CHEK1ABCB1ABCC1ALDH1A1CYP3A4 | |
| SCHEMBL6030795 | 0.80 | CHEK1 (0.48) | CHEK1ABCB1ABCC1CYP3A4 | |
| SCHEMBL4525042 | 0.80 | CHEK1 (0.46) | CHEK1ABCB1ABCC1 | |
| SCHEMBL11224598 | 0.76 | CHEK1 (0.61) | CHEK1ABCB1ABCC1ALDH1A1CYP3A4 | |
| SCHEMBL30423771 | 0.75 | ALDH1A1 (0.61) | CHEK1ABCB1ABCC1ALDH1A1TDP1 | |
| SCHEMBL359057 | 0.75 | ALDH1A1 (0.61) | CHEK1ABCB1ABCC1ALDH1A1TDP1 | |
| SCHEMBL1747968 | 0.74 | NPC1 (0.45) | CHEK1ABCB1ABCC1CYP3A4 | |
| SCHEMBL16701438 | 0.74 | CHEK1 (0.54) | CHEK1ABCB1ABCC1ALDH1A1TDP1 | |
| SCHEMBL223878 | 0.72 | TTR (0.64) | ALDH1A1TSHR | |
| SCHEMBL29753668 | 0.72 | TTR (0.64) | ALDH1A1TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7423156-B2 | Preparation and use of aryl alkyl acid derivatives for the treatment of obesity | BAYER PHARMACEUTICALS CORPORATION (US) | 2008-09-09 | — | — | US | disclosed |