Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | FPR2 | P25090 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5160058 | 0.82 | NPC1 (0.45) | NPC1RAB9AHSPA5KMT2AFFAR2 | |
| SCHEMBL6666888 | 0.80 | NPC1 (0.49) | NPC1RAB9AHSPA5KMT2AFFAR2 | |
| SCHEMBL28882574 | 0.78 | NPC1 (0.47) | NPC1RAB9AHSPA5KMT2AFFAR2 | |
| SCHEMBL11599997 | 0.77 | NPC1 (0.46) | NPC1RAB9AHSPA5KMT2AFFAR2 | |
| SCHEMBL28612372 | 0.77 | NPC1 (0.46) | NPC1RAB9AHSPA5KMT2AFFAR2 | |
| SCHEMBL5161109 | 0.76 | NPC1 (0.42) | NPC1RAB9AHSPA5KMT2AALDH1A1 | |
| SCHEMBL5162482 | 0.75 | NPC1 (0.35) | NPC1RAB9ATBXAS1 | |
| SCHEMBL6281989 | 0.75 | NPC1 (0.47) | NPC1RAB9AHSPA5KMT2AGLA | |
| Hydrochloric Acid SCHEMBL17275456 | 0.75 | NPC1 (0.45) | NPC1RAB9AHSPA5KMT2AFFAR2 | |
| Hydrochloric Acid SCHEMBL17275457 | 0.75 | NPC1 (0.45) | NPC1RAB9AHSPA5KMT2AFFAR2 |
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 |