Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.46 |
| ▸ | NPC1 | O15118 | 8/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.46 |
| ▸ | HPGD | P15428 | 7/20 | 0.46 |
| ▸ | RAB9A | P51151 | 6/20 | 0.46 |
| ▸ | GAA | P10253 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | CDK3 | Q00526 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11262078 | 0.90 | ALDH1A1 (0.51) | ALDH1A1NPC1SMN1; SMN2HPGDRAB9A | |
| SCHEMBL11266785 | 0.81 | ALDH1A1 (0.41) | ALDH1A1NPC1SMN1; SMN2HPGDRAB9A | |
| SCHEMBL11271736 | 0.81 | NPC1 (0.38) | ALDH1A1NPC1SMN1; SMN2HPGDRAB9A | |
| SCHEMBL11253900 | 0.80 | NPC1 (0.41) | ALDH1A1NPC1SMN1; SMN2HPGDRAB9A | |
| SCHEMBL11259854 | 0.79 | SMN1; SMN2 (0.52) | ALDH1A1NPC1SMN1; SMN2HPGDRAB9A | |
| SCHEMBL11262070 | 0.79 | ALDH1A1 (0.35) | ALDH1A1NPC1SMN1; SMN2HPGDRAB9A | |
| SCHEMBL11261507 | 0.79 | CCNE1 (0.36) | ALDH1A1NPC1SMN1; SMN2HPGDRAB9A | |
| Hydrochloric Acid SCHEMBL11264345 | 0.78 | CCNE1 (0.35) | ALDH1A1NPC1SMN1; SMN2HPGDRAB9A | |
| Hydrochloric Acid SCHEMBL11262649 | 0.78 | ALDH1A1 (0.34) | ALDH1A1NPC1SMN1; SMN2HPGDRAB9A | |
| SCHEMBL11266123 | 0.76 | NPC1 (0.41) | ALDH1A1NPC1SMN1; SMN2HPGDRAB9A |
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-4344946-A | ANTIARTHRITICS, ANTIRHEUMATICS | BOEHRINGER INGELHEIM GMBH (DE) | 1982-08-17 | — | — | US | disclosed |