Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | FASN | P49327 | 1/20 | 0.36 |
| ▸ | ANPEP | P15144 | 2/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | APP | P05067 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.33 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.33 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.32 |
| ▸ | TNKS | O95271 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4434770 | 1.00 | ESR2 (0.50) | ESR2NPC1RAB9AFASNANPEP | |
| SCHEMBL4438458 | 0.95 | ESR2 (0.46) | ESR2NPC1RAB9AFASNANPEP | |
| SCHEMBL19493538 | 0.94 | ESR2 (0.45) | ESR2NPC1RAB9AFASNANPEP | |
| SCHEMBL28574546 | 0.91 | NPC1 (0.42) | ESR2NPC1RAB9AANPEPCYP3A4 | |
| SCHEMBL17210747 | 0.91 | NPC1 (0.42) | ESR2NPC1RAB9AANPEPCYP3A4 | |
| SCHEMBL18973293 | 0.91 | ESR2 (0.45) | ESR2NPC1RAB9AFASNANPEP | |
| SCHEMBL20805203 | 0.89 | ESR2 (0.44) | ESR2NPC1RAB9AFASNHRH3 | |
| SCHEMBL2741558 | 0.89 | ESR2 (0.44) | ESR2NPC1RAB9AFASNCYP3A4 | |
| SCHEMBL19159740 | 0.89 | ESR2 (0.44) | ESR2NPC1RAB9AFASNHRH3 | |
| SCHEMBL4432796 | 0.88 | ESR2 (0.49) | ESR2NPC1RAB9AFASNHRH3 |
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-5032313-A | Trifluorobenzene derivative and liquid crystal composition containing the same | CHISSO CORPORATION (JP) | 1991-07-16 | — | — | US | disclosed |
| EP-0387032-A1 | Trifluorobenzene derivatives and liquid crystal compositions containing the same | Chisso Corporation (JP) | 1990-09-12 | — | — | EP | disclosed |