Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 4/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | LTA4H | P09960 | 2/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9855813 | 0.94 | ACACB (0.44) | ACACBMCHR1LTA4HCHRNB2CHRNB4 | |
| SCHEMBL9855368 | 0.91 | ACACB (0.51) | ACACBMCHR1CYP2D6CYP3A4CYP19A1 | |
| SCHEMBL9855477 | 0.90 | ACACB (0.45) | ACACBMCHR1CYP2D6CYP3A4CYP19A1 | |
| SCHEMBL9855008 | 0.90 | ACACB (0.45) | ACACBMCHR1CYP2D6CYP3A4CYP19A1 | |
| SCHEMBL9855280 | 0.89 | ACACB (0.44) | ACACBMCHR1CYP2D6CYP3A4CYP19A1 | |
| SCHEMBL9855211 | 0.88 | ACACB (0.44) | ACACBTSHR | |
| SCHEMBL9854953 | 0.88 | NR5A1 (0.50) | ACACBMCHR1CYP2D6CYP3A4CYP19A1 | |
| SCHEMBL9855160 | 0.87 | ACACB (0.43) | ACACBMCHR1CYP2D6CYP3A4LTA4H | |
| SCHEMBL10511071 | 0.87 | ACACB (0.43) | ACACBMCHR1CYP2D6CYP3A4LTA4H | |
| SCHEMBL9855408 | 0.87 | ACACB (0.43) | ACACBMCHR1CYP2D6CYP3A4CYP19A1 |
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-5068053-A | Liquid crystals for optical apparatus | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-11-26 | — | — | US | disclosed |