Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.69 |
| ▸ | MAPT | P10636 | 6/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.69 |
| ▸ | HTT | P42858 | 3/20 | 0.69 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.69 |
| ▸ | LMNA | P02545 | 3/20 | 0.69 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.69 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.69 |
| ▸ | HPGD | P15428 | 2/20 | 0.69 |
| ▸ | MITF | O75030 | 1/20 | 0.69 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.69 |
| ▸ | MC4R | P32245 | 1/20 | 0.69 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.68 |
| ▸ | MEN1 | O00255 | 4/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.68 |
| ▸ | POLB | P06746 | 3/20 | 0.68 |
| ▸ | APEX1 | P27695 | 1/20 | 0.68 |
| ▸ | RECQL | P46063 | 1/20 | 0.68 |
| ▸ | ATM | Q13315 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL10376480 | 1.00 | ALDH1A1 (0.69) | ALDH1A1MAPTSMN1; SMN2KDM4EHTT | |
| SCHEMBL9904980 | 0.86 | MAPT (0.68) | ALDH1A1MAPTSMN1; SMN2KDM4EHTT | |
| SCHEMBL9904982 | 0.86 | MAPT (0.68) | ALDH1A1MAPTSMN1; SMN2KDM4EHTT | |
| SCHEMBL14788055 | 0.86 | MAPT (0.72) | ALDH1A1MAPTSMN1; SMN2KDM4EHTT | |
| SCHEMBL9904825 | 0.86 | MAPT (0.68) | ALDH1A1MAPTSMN1; SMN2KDM4EHTT | |
| SCHEMBL9904823 | 0.86 | MAPT (0.68) | ALDH1A1MAPTSMN1; SMN2KDM4EHTT | |
| SCHEMBL12120933 | 0.74 | ATM (0.67) | ALDH1A1MAPTSMN1; SMN2KDM4EHTT | |
| SCHEMBL1127259 | 0.72 | ATM (1.00) | ALDH1A1MAPTSMN1; SMN2HTTLMNA | |
| SCHEMBL19456938 | 0.70 | MAPT (0.53) | ALDH1A1MAPTSMN1; SMN2KDM4EHTT | |
| SCHEMBL9428072 | 0.70 | ALDH1A1 (0.62) | ALDH1A1MAPTSMN1; SMN2KDM4EHTT |
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-0172692-A1 | Hexahydroindolizine compounds, pharmaceutical compositions and methods and intermediates | McNeilab, Inc. (US) | 1986-02-26 | — | — | EP | disclosed |
| US-4572911-A | ANTISECRETORY AND ANTIDEPRESSANT AGENTS | MCNEILAB, INC. (US) | 1986-02-25 | — | — | US | disclosed |