Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | GBA1 | P04062 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.34 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8333332 | 0.98 | CYP1A2 (0.41) | CYP1A2CHRNB2CHRNA7CHRNA4GBA1 | |
| SCHEMBL31026188 | 0.98 | CYP1A2 (0.41) | CYP1A2CHRNB2CHRNA7CHRNA4GBA1 | |
| SCHEMBL21596445 | 0.98 | CYP1A2 (0.41) | CYP1A2CHRNB2CHRNA7CHRNA4GBA1 | |
| SCHEMBL3792450 | 0.98 | CYP1A2 (0.41) | CYP1A2CHRNB2CHRNA7CHRNA4GBA1 | |
| SCHEMBL4486955 | 0.98 | CYP1A2 (0.41) | CYP1A2CHRNB2CHRNA7CHRNA4GBA1 | |
| SCHEMBL8085940 | 0.94 | ALDH1A1 (0.36) | CYP1A2GBA1CHRM2CHRM4CHRM5 | |
| SCHEMBL28905056 | 0.88 | S1PR1 (0.40) | CYP1A2CHRNB2CHRNA7CHRNA4GBA1 | |
| SCHEMBL18068300 | 0.86 | AR (0.31) | — | |
| SCHEMBL18068301 | 0.86 | AR (0.31) | — | |
| SCHEMBL11697415 | 0.86 | AR (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0973710-B1 | OMEGA-AMINO ACID DERIVATIVES, PROCESSES OF THEIR PREPARATION AND THEIR USE | BOCHEMIE S R O (CZ) | 2002-02-06 | — | — | EP | disclosed |
| US-6187938-B1 | TRANSDERMAL PENETRATION ENHANCERS | BOCHEMIE, S.R.O. (CZ) | 2001-02-13 | — | — | US | disclosed |
| EP-0973710-A2 | OMEGA-AMINO ACID DERIVATIVES, PROCESSES OF THEIR PREPARATION AND THEIR USE | Bochemie S.R.O. (CZ) | 2000-01-26 | — | — | EP | disclosed |
| WO-1998045233-A2 | OMEGA-AMINO ACID DERIVATIVES, PROCESSES OF THEIR PREPARATION AND THEIR USE | BOCHEMIE S.R.O. (CZ) | 1998-10-15 | — | — | WO | disclosed |