Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.33 |
| ▸ | HTR2A | P28223 | 3/20 | 0.33 |
| ▸ | HTR2C | P28335 | 3/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.32 |
| ▸ | CEL | P19835 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9251813 | 1.00 | CYP1A2 (0.34) | CYP1A2RIPK1GAAMAPTP2RX7 | |
| SCHEMBL9243976 | 0.96 | HTR2A (0.34) | CYP1A2RIPK1GAAMAPTP2RX7 | |
| SCHEMBL9243966 | 0.96 | HTR2A (0.34) | CYP1A2RIPK1GAAMAPTP2RX7 | |
| SCHEMBL9249614 | 0.95 | CYP1A2 (0.39) | CYP1A2RIPK1GAAMAPTP2RX7 | |
| SCHEMBL9249619 | 0.95 | CYP1A2 (0.39) | CYP1A2RIPK1GAAMAPTP2RX7 | |
| SCHEMBL10708324 | 0.94 | CYP1A2 (0.38) | CYP1A2GAAMAPTHTR2AHTR2C | |
| SCHEMBL10708319 | 0.94 | CYP1A2 (0.38) | CYP1A2GAAMAPTHTR2AHTR2C | |
| SCHEMBL10708748 | 0.92 | MAPT (0.39) | CYP1A2GAAMAPTMEN1KMT2A | |
| SCHEMBL10708740 | 0.92 | MAPT (0.39) | CYP1A2GAAMAPTMEN1KMT2A | |
| SCHEMBL9485467 | 0.91 | TYR (0.39) | CYP1A2GAAMAPTMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995010496-A1 | 2,3,4-TRIFLUOROBENZENES AND THEIR USE IN LIQUID CRYSTAL MIXTURES | MERCK PATENT GMBH (DE) | 1995-04-20 | — | — | WO | disclosed |