Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.45 |
| ▸ | APEX1 | P27695 | 1/20 | 0.45 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | HBB | P68871 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7553199 | 0.79 | ALDH1A1 (0.56) | ALDH1A1L3MBTL1SMN1; SMN2TP53MAPT | |
| SCHEMBL3108724 | 0.79 | SIGMAR1 (0.52) | ALDH1A1L3MBTL1SMN1; SMN2MAPTNPSR1 | |
| SCHEMBL4906722 | 0.79 | SIGMAR1 (0.52) | ALDH1A1L3MBTL1SMN1; SMN2MAPTNPSR1 | |
| SCHEMBL14938712 | 0.78 | ALDH1A1 (0.68) | ALDH1A1L3MBTL1SMN1; SMN2TP53MAPT | |
| Hydrochloric Acid SCHEMBL7228224 | 0.78 | SIGMAR1 (0.50) | ALDH1A1SMN1; SMN2HTTMEN1KMT2A | |
| SCHEMBL31670698 | 0.76 | SIGMAR1 (0.55) | ALDH1A1SMN1; SMN2MAPTNPSR1GAA | |
| SCHEMBL8045561 | 0.76 | SIGMAR1 (0.55) | ALDH1A1SMN1; SMN2MAPTNPSR1GAA | |
| SCHEMBL27901611 | 0.76 | ALDH1A1 (0.49) | ALDH1A1L3MBTL1SMN1; SMN2MAPTNPSR1 | |
| SCHEMBL9551657 | 0.74 | SIGMAR1 (0.54) | ALDH1A1SMN1; SMN2MAPTNPSR1GAA | |
| SCHEMBL17157069 | 0.73 | SMN1; SMN2 (0.55) | ALDH1A1SMN1; SMN2HTTMEN1KMT2A |
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-0880575-A1 | MACHINING FLUID COMPOSITION AND METHOD OF MACHINING | CINCINNATI MILACRON INC. (US) | 1998-12-02 | — | — | EP | disclosed |
| WO-1998013444-A1 | MACHINING FLUID COMPOSITION AND METHOD OF MACHINING | CINCINNATI MILACRON INC. (US) | 1998-04-02 | — | — | WO | disclosed |
| EP-0001738-A1 | 1,3,5-s-Hexahydrotrisubstituted triazines and metal-working compositions containing them | MERCK & CO. INC. (US) | 1979-05-16 | — | — | EP | disclosed |