Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 14/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.67 |
| ▸ | RAB9A | P51151 | 4/20 | 0.67 |
| ▸ | NPC1 | O15118 | 4/20 | 0.67 |
| ▸ | LMNA | P02545 | 4/20 | 0.67 |
| ▸ | ALOX12 | P18054 | 6/20 | 0.64 |
| ▸ | MAPT | P10636 | 4/20 | 0.64 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.62 |
| ▸ | POLB | P06746 | 2/20 | 0.58 |
| ▸ | GLA | P06280 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 5/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.56 |
| ▸ | THRB | P10828 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CCR6 | P51684 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL13470037 | 0.93 | ALDH1A1 (0.70) | ALDH1A1SMN1; SMN2RAB9ANPC1LMNA | |
| SCHEMBL13470405 | 0.93 | ALDH1A1 (0.62) | ALDH1A1SMN1; SMN2RAB9ANPC1LMNA | |
| SCHEMBL13453888 | 0.93 | ALDH1A1 (0.79) | ALDH1A1SMN1; SMN2RAB9ANPC1LMNA | |
| SCHEMBL17066513 | 0.93 | ALDH1A1 (0.66) | ALDH1A1SMN1; SMN2RAB9ANPC1LMNA | |
| SCHEMBL13453913 | 0.92 | ALDH1A1 (0.63) | ALDH1A1SMN1; SMN2RAB9ANPC1LMNA | |
| SCHEMBL13470302 | 0.92 | ALDH1A1 (0.62) | ALDH1A1SMN1; SMN2RAB9ANPC1LMNA | |
| SCHEMBL17066659 | 0.91 | ALDH1A1 (0.78) | ALDH1A1SMN1; SMN2RAB9ANPC1LMNA | |
| SCHEMBL17066698 | 0.91 | GPR55 (0.72) | ALDH1A1SMN1; SMN2LMNAALOX12MAPT | |
| SCHEMBL17066690 | 0.91 | ALDH1A1 (0.63) | ALDH1A1SMN1; SMN2RAB9ANPC1LMNA | |
| SCHEMBL13470303 | 0.91 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2RAB9ANPC1LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9126938-B2 | Phosphatidylcholine transfer protein inhibitors | THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) | 2015-09-08 | — | — | US | disclosed |