Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.36 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.35 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5160609 | 0.81 | TRPA1 (0.50) | TRPA1CYP3A4MAPTPTGS1PTGS2 | |
| SCHEMBL8026182 | 0.79 | TRPA1 (0.55) | TRPA1CYP3A4MAPTKCNK3KCNK9 | |
| SCHEMBL5160947 | 0.75 | CYP3A4 (0.50) | TRPA1CYP3A4MAPTPTGS1PTGS2 | |
| SCHEMBL7021730 | 0.75 | CA12 (0.49) | CYP3A4MAPTPTGS1PTGS2RECQL | |
| SCHEMBL5160702 | 0.74 | TRPA1 (0.40) | TRPA1CYP3A4MAPT | |
| SCHEMBL7027205 | 0.72 | ALDH1A1 (0.50) | MAPTKDM4EMEN1ALDH1A1HPGD | |
| SCHEMBL10801193 | 0.71 | GSK3B (0.47) | TRPA1CYP3A4MAPTKCNK3KCNK9 | |
| SCHEMBL5162688 | 0.70 | NAPRT (0.48) | CYP3A4PTGS2KDM4EMEN1ALDH1A1 | |
| SCHEMBL142183 | 0.69 | — | — | |
| Acetone SCHEMBL28506095 | 0.69 | TRPA1 (0.47) | TRPA1CYP3A4MAPTKCNK3KCNK9 |
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-1340746-B1 | Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives | SALTIGO GMBH (DE) | 2007-02-28 | — | — | EP | disclosed |
| EP-1340746-A1 | Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives | BAYER AG (DE) | 2003-09-03 | — | — | EP | disclosed |