Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 2/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | PNMT | P11086 | 3/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | GAPDH | P04406 | 1/20 | 0.39 |
| ▸ | HSPA1A | P0DMV8 | 1/20 | 0.39 |
| ▸ | HSPA8 | P11142 | 1/20 | 0.39 |
| ▸ | CD44 | P16070 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6647761 | 0.88 | SMN1; SMN2 (0.44) | CHRNB4CHRNA3SMN1; SMN2ALDH1A1HSP90AA1 | |
| SCHEMBL12813209 | 0.84 | CHRNB4 (0.49) | CHRNB4CHRNA3SMN1; SMN2ALDH1A1HSP90AA1 | |
| SCHEMBL1347263 | 0.78 | CRBN (0.46) | CHRNB4CHRNA3SMN1; SMN2ALDH1A1CHRNA7 | |
| SCHEMBL10869497 | 0.78 | HSP90AA1 (0.40) | CHRNB4CHRNA3SMN1; SMN2ALDH1A1HSP90AA1 | |
| SCHEMBL11269752 | 0.77 | NPC1 (0.40) | CHRNB4CHRNA3SMN1; SMN2ALDH1A1HSP90AA1 | |
| SCHEMBL17479578 | 0.75 | ALDH1A1 (0.51) | CHRNB4CHRNA3SMN1; SMN2ALDH1A1PNMT | |
| SCHEMBL30100756 | 0.75 | ALDH1A1 (0.51) | CHRNB4CHRNA3SMN1; SMN2ALDH1A1PNMT | |
| SCHEMBL5537547 | 0.74 | AR (0.40) | SMN1; SMN2ALDH1A1MAPTARPGR | |
| SCHEMBL24982 | 0.73 | MAPT (0.49) | ALDH1A1PNMTADRA2ANPC1MAPT | |
| SCHEMBL8312203 | 0.73 | ALDH1A1 (0.50) | CHRNB4CHRNA3SMN1; SMN2ALDH1A1HSP90AA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0991624-B1 | PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT | BOEHRINGER INGELHEIM PHARMA (DE) | 2003-11-19 | — | — | EP | disclosed |
| US-6300342-B1 | FOR THERAPY OR INHIBITING THROMBUS FORMATION; FOR THERAPY OF FIBRIN-DEPENDENT INFLAMMATORY CONDITION | BOEHRINGER INGELHEIM PHARM KG (DE) | 2001-10-09 | — | — | US | disclosed |