Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.55 |
| ▸ | MAPT | P10636 | 6/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.55 |
| ▸ | HPGD | P15428 | 4/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.55 |
| ▸ | TP53 | P04637 | 3/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.55 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.55 |
| ▸ | RELA | Q04206 | 2/20 | 0.55 |
| ▸ | ATM | Q13315 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.46 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL13379428 | 0.92 | SMN1; SMN2 (0.49) | ALDH1A1SMN1; SMN2MAPTKDM4EHPGD | |
| SCHEMBL13379397 | 0.91 | SMN1; SMN2 (0.62) | ALDH1A1SMN1; SMN2MAPTKDM4EHPGD | |
| SCHEMBL13606260 | 0.89 | SMN1; SMN2 (0.52) | ALDH1A1SMN1; SMN2MAPTKDM4EHPGD | |
| SCHEMBL13379369 | 0.87 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2MAPTKDM4EHPGD | |
| SCHEMBL13379333 | 0.87 | KDM4E (0.44) | ALDH1A1SMN1; SMN2MAPTKDM4EHPGD | |
| SCHEMBL13606263 | 0.87 | SMN1; SMN2 (0.52) | ALDH1A1SMN1; SMN2MAPTKDM4EHPGD | |
| SCHEMBL13379323 | 0.87 | GPR55 (0.55) | ALDH1A1SMN1; SMN2MAPTKDM4EHPGD | |
| SCHEMBL13379321 | 0.86 | NPC1 (0.54) | SMN1; SMN2MAPTKDM4EHPGDHSD17B10 | |
| SCHEMBL13379432 | 0.85 | SMN1; SMN2 (0.48) | ALDH1A1SMN1; SMN2MAPTKDM4EHPGD | |
| SCHEMBL13379332 | 0.85 | TSHR (0.53) | ALDH1A1SMN1; SMN2MAPTKDM4EHPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-7705157-B2 | Phenol-heterocyclic ligands, metal complexes, and their uses as catalysts | SYMYX SOLUTIONS, INC. (US) | 2010-04-27 | — | — | US | disclosed |
| US-20100048841-A1 | PHENOL-HETEROCYCLIC LIGANDS, METAL COMPLEXES, AND THEIR USES AS CATALYSTS | SYMYX SOLUTIONS, INC. (US) | 2010-02-25 | — | — | US | disclosed |