Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.35 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.35 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MITF | O75030 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL3686927 | 0.82 | ALDH1A1 (0.47) | ALDH1A1TSHRACHELMNAALOX12 | |
| SCHEMBL7023222 | 0.76 | ALDH1A1 (0.40) | ALDH1A1PDE4BTSHRACHELMNA | |
| SCHEMBL7258464 | 0.76 | PDE4B (0.54) | ALDH1A1PDE4BLMNAL3MBTL1MAPT | |
| SCHEMBL6414357 | 0.73 | ALDH1A1 (0.50) | ALDH1A1PDE4BLMNASLC22A2SLC22A1 | |
| SCHEMBL4936702 | 0.73 | ALDH1A1 (0.50) | ALDH1A1PDE4BLMNASLC22A2SLC22A1 | |
| SCHEMBL532970 | 0.71 | ALDH1A1 (0.67) | ALDH1A1PDE4BLMNASLC22A2SLC22A1 | |
| SCHEMBL852224 | 0.71 | ALDH1A1 (0.67) | ALDH1A1PDE4BLMNASLC22A2SLC22A1 | |
| SCHEMBL532969 | 0.71 | ALDH1A1 (0.67) | ALDH1A1PDE4BLMNASLC22A2SLC22A1 | |
| SCHEMBL20121190 | 0.70 | PDE4B (0.54) | ALDH1A1PDE4BLMNAMAPTMITF | |
| SCHEMBL20161110 | 0.70 | PDE4B (0.54) | ALDH1A1PDE4BLMNAMAPTMITF |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0345653-B1 | Transition metal complex | BASF AG (DE) | 1994-10-26 | — | — | EP | disclosed |
| US-5103065-A | TRANSITION METAL COMPLEXES AS CATALYSTS FOR HYDROGENATION HYDROFORMYLATION AND CYCLOTRIMERIZATION | BASF AKTIENGESELLSCHAFT (DE) | 1992-04-07 | — | — | US | disclosed |
| US-4999443-A | Transition metal complexes | BASF AKTIENGESELLSCHAFT (DE) | 1991-03-12 | — | — | US | disclosed |