Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.59 |
| ▸ | TBXAS1 | P24557 | 5/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.44 |
| ▸ | SLC9A3 | P48764 | 1/20 | 0.44 |
| ▸ | SLC9A2 | Q9UBY0 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.39 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.38 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1410889 | 1.00 | AKR1C3 (0.59) | AKR1C3TBXAS1NPC1ALDH1A1RAB9A | |
| SCHEMBL20424877 | 0.87 | AKR1C3 (0.59) | AKR1C3TBXAS1NPC1ALDH1A1RAB9A | |
| SCHEMBL5487857 | 0.87 | AKR1C3 (0.59) | AKR1C3TBXAS1NPC1ALDH1A1RAB9A | |
| SCHEMBL21192729 | 0.84 | AKR1C3 (0.56) | AKR1C3TBXAS1NPC1ALDH1A1RAB9A | |
| SCHEMBL8746676 | 0.84 | AKR1C3 (0.76) | AKR1C3TBXAS1ALDH1A1SLC9A1SLC9A3 | |
| SCHEMBL8746678 | 0.84 | AKR1C3 (0.76) | AKR1C3TBXAS1ALDH1A1SLC9A1SLC9A3 | |
| SCHEMBL2626933 | 0.80 | CAPN1 (0.46) | CYP2C9CYP3A4 | |
| SCHEMBL1952743 | 0.80 | TBXAS1 (0.44) | AKR1C3TBXAS1ACMSDLTB4RLTB4R2 | |
| SCHEMBL1952742 | 0.80 | TBXAS1 (0.44) | AKR1C3TBXAS1ACMSDLTB4RLTB4R2 | |
| SCHEMBL11068422 | 0.79 | TBXAS1 (0.59) | AKR1C3TBXAS1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2295410-A1 | HDAC inhibitor | Chroma Therapeutics Limited (GB) | 2011-03-16 | — | — | EP | disclosed |