Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | APP | P05067 | 4/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | FASN | P49327 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.39 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.39 |
| ▸ | P2RY14 | Q15391 | 5/20 | 0.38 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.38 |
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.37 |
| ▸ | DRD1 | P21728 | 2/20 | 0.37 |
| ▸ | DRD5 | P21918 | 2/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.37 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9809581 | 1.00 | CYP3A4 (0.46) | CYP3A4CYP2C9APPAKR1C3AKR1C2 | |
| SCHEMBL8997321 | 0.91 | CYP2C9 (0.45) | CYP3A4CYP2C9APPAKR1C3AKR1C2 | |
| SCHEMBL8997327 | 0.91 | CYP2C9 (0.45) | CYP3A4CYP2C9APPAKR1C3AKR1C2 | |
| SCHEMBL11132023 | 0.89 | CYP3A4 (0.45) | CYP3A4CYP2C9APPFASNALOX5AP | |
| SCHEMBL11132028 | 0.89 | CYP3A4 (0.45) | CYP3A4CYP2C9APPFASNALOX5AP | |
| SCHEMBL9809516 | 0.89 | CYP3A4 (0.43) | CYP3A4CYP2C9APPAKR1C3AKR1C2 | |
| SCHEMBL6452476 | 0.88 | APP (0.39) | CYP3A4CYP2C9APPAKR1C3AKR1C2 | |
| SCHEMBL6452473 | 0.88 | APP (0.39) | CYP3A4CYP2C9APPAKR1C3AKR1C2 | |
| SCHEMBL8997323 | 0.88 | CYP3A4 (0.42) | CYP3A4CYP2C9APPAKR1C3AKR1C2 | |
| SCHEMBL8997314 | 0.88 | CYP3A4 (0.42) | CYP3A4CYP2C9APPAKR1C3AKR1C2 |
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-5292454-A | Trifluorotoluene compounds, and a liquid crystalline medium | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1994-03-08 | — | — | US | disclosed |