Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 1.00 |
| ▸ | HPGD | P15428 | 3/20 | 1.00 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 1.00 |
| ▸ | MAPT | P10636 | 3/20 | 0.97 |
| ▸ | POLB | P06746 | 1/20 | 0.97 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.74 |
| ▸ | RAB9A | P51151 | 6/20 | 0.70 |
| ▸ | NPC1 | O15118 | 5/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.70 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.68 |
| ▸ | LMNA | P02545 | 1/20 | 0.68 |
| ▸ | HTT | P42858 | 1/20 | 0.68 |
| ▸ | MEN1 | O00255 | 1/20 | 0.65 |
| ▸ | GLA | P06280 | 1/20 | 0.65 |
| ▸ | GAA | P10253 | 1/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.65 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.65 |
| ▸ | CA12 | O43570 | 1/20 | 0.62 |
| ▸ | CA1 | P00915 | 1/20 | 0.62 |
| ▸ | CA2 | P00918 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL15170873 | 1.00 | ALDH1A1 (1.00) | ALDH1A1HPGDL3MBTL1MAPTPOLB | |
| SCHEMBL28975869 | 0.86 | MAPT (0.78) | ALDH1A1HPGDL3MBTL1MAPTPOLB | |
| SCHEMBL18889298 | 0.86 | MAPT (0.78) | ALDH1A1HPGDL3MBTL1MAPTPOLB | |
| SCHEMBL967229 | 0.86 | ALDH1A1 (0.74) | ALDH1A1HPGDL3MBTL1MAPTPOLB | |
| SCHEMBL16825864 | 0.85 | MAPT (0.76) | ALDH1A1HPGDL3MBTL1MAPTPOLB | |
| SCHEMBL13450339 | 0.82 | RAB9A (1.00) | ALDH1A1HPGDL3MBTL1MAPTPOLB | |
| SCHEMBL5163367 | 0.81 | ALDH1A1 (0.68) | ALDH1A1HPGDL3MBTL1MAPTPOLB | |
| SCHEMBL3455401 | 0.80 | ALDH1A1 (0.72) | ALDH1A1HPGDL3MBTL1MAPTPOLB | |
| Befuraline SCHEMBL499156 | 0.80 | GRIN2B (0.91) | ALDH1A1HPGDL3MBTL1MAPTPOLB | |
| Befuraline SCHEMBL30036410 | 0.80 | GRIN2B (0.91) | ALDH1A1HPGDL3MBTL1MAPTPOLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018030550-A1 | HETEROCYCLIC COMPOUNDS WITH AN ROR(GAMMA)T MODULATING ACTIVITY | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-02-15 | — | — | WO | disclosed |