Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 4/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5161109 | 0.80 | NPC1 (0.42) | ALDH1A1NPC1RAB9AFPR2 | |
| SCHEMBL5160664 | 0.79 | ALDH1A1 (0.40) | CA2MAPK1ALDH1A1CYP3A4HDAC3 | |
| SCHEMBL10615777 | 0.78 | CA2 (0.43) | MMP2MMP3CA2MAPK1ALDH1A1 | |
| SCHEMBL10617270 | 0.78 | NPC1 (0.41) | MMP2MMP3CA2MAPK1CYP3A4 | |
| SCHEMBL5162482 | 0.75 | NPC1 (0.35) | MMP2MMP3CA2MAPK1NPC1 | |
| SCHEMBL5160092 | 0.75 | ALDH1A1 (0.40) | CA2MAPK1ALDH1A1CYP3A4HDAC3 | |
| SCHEMBL28437058 | 0.75 | ALDH1A1 (0.56) | CA2MAPK1ALDH1A1CYP3A4NPC1 | |
| SCHEMBL30186020 | 0.75 | FAAH (0.41) | MMP2ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL5160570 | 0.75 | HDAC3 (0.40) | CA2MAPK1ALDH1A1CYP3A4NPC1 | |
| SCHEMBL5158380 | 0.75 | CA2 (0.37) | CA2MAPK1ALDH1A1CYP3A4HDAC3 |
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 |