Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.45 |
| ▸ | NPC1 | O15118 | 5/20 | 0.45 |
| ▸ | RAB9A | P51151 | 5/20 | 0.45 |
| ▸ | HPGD | P15428 | 5/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.39 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.37 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.37 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7711665 | 0.82 | ALDH1A1 (0.39) | ALDH1A1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL6863519 | 0.81 | ADORA2A (0.44) | ALDH1A1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL7705877 | 0.81 | SMN1; SMN2 (0.41) | ALDH1A1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL6869624 | 0.79 | ADORA2A (0.41) | ALDH1A1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL7708784 | 0.78 | SMN1; SMN2 (0.54) | ALDH1A1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL7423524 | 0.78 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL6870566 | 0.77 | ADORA2A (0.45) | ALDH1A1HPGDHTTKDM4EMEN1 | |
| SCHEMBL7708740 | 0.77 | ADORA2A (0.57) | ALDH1A1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL7709147 | 0.75 | KDR (0.48) | ALDH1A1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL6867221 | 0.75 | ADORA2A (0.46) | ALDH1A1HPGDHTTKDM4EMEN1 |
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 |