Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 1/20 | 0.45 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.44 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | FFAR4 | Q5NUL3 | 3/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | CHKA | P35790 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.37 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.36 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.36 |
| ▸ | FDFT1 | P37268 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10984335 | 0.95 | PDE3B (0.43) | RARBPDE3BPDE3ABACE1TAAR1 | |
| SCHEMBL18503373 | 0.91 | BACE1 (0.50) | RARBPDE3BPDE3ABACE1TAAR1 | |
| SCHEMBL9664311 | 0.91 | RARB (0.48) | RARBTAAR1S1PR1CHKAGRIA4 | |
| SCHEMBL20209760 | 0.90 | PDE3B (0.45) | RARBPDE3BPDE3ABACE1TAAR1 | |
| SCHEMBL20202976 | 0.90 | PDE3B (0.45) | RARBPDE3BPDE3ABACE1TAAR1 | |
| SCHEMBL12735683 | 0.89 | RARB (0.38) | RARBPDE3BPDE3ABACE1TAAR1 | |
| SCHEMBL9664122 | 0.89 | RARB (0.47) | RARBPDE3BPDE3ABACE1TAAR1 | |
| SCHEMBL9664385 | 0.88 | RARB (0.49) | RARBTAAR1S1PR1CHKAGRIA4 | |
| SCHEMBL8990857 | 0.88 | MAOB (0.46) | RARBPDE3BPDE3ATAAR1CHKA | |
| SCHEMBL18503378 | 0.88 | BACE1 (0.46) | RARBPDE3BPDE3ABACE1TAAR1 |
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-5093026-A | Liquid crystals | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1992-03-03 | — | — | US | disclosed |
| WO-1990008756-A1 | DIPHENYLETHANES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1990-08-09 | — | — | WO | disclosed |