Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | NPC1 | O15118 | 5/20 | 0.46 |
| ▸ | RAB9A | P51151 | 5/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.40 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7708571 | 0.83 | ALDH1A1 (0.40) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL7708784 | 0.79 | SMN1; SMN2 (0.54) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL7423524 | 0.79 | ALDH1A1 (0.53) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL7703244 | 0.78 | DPP4 (0.47) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL7483006 | 0.77 | NPC1 (0.53) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL7431382 | 0.77 | NPC1 (0.52) | KDRALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7709218 | 0.75 | ALDH1A1 (0.45) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL7705877 | 0.74 | SMN1; SMN2 (0.41) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL7709122 | 0.73 | MAOA (0.47) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL7427474 | 0.73 | SMN1; SMN2 (0.47) | KDRALDH1A1NPC1RAB9ASMN1; SMN2 |
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-6355653-B1 | DRUG AND CARRIER FOR ANTIALLERGENS, BRAIN DISORDERS AND NEUROTRANSMITTERS | HOFFMANN-LA ROCHE INC. | 2002-03-12 | — | — | US | disclosed |