Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | IGF1R | P08069 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HTR6 | P50406 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | HTR1D | P28221 | 1/20 | 0.39 |
| ▸ | HTR1B | P28222 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11648083 | 0.84 | CYP1A2 (0.55) | CYP1A2CYP2C19CYP2C9TSHRGAA | |
| Hydrochloric Acid SCHEMBL10924459 | 0.76 | MAPT (0.49) | CYP1A2CYP2D6CYP2C19CYP2C9TSHR | |
| SCHEMBL11647620 | 0.76 | CYP1A2 (0.58) | CYP1A2CYP2C19CYP2C9TSHRGAA | |
| SCHEMBL8654844 | 0.75 | CYP1A2 (0.56) | CYP1A2CYP2C19CYP2C9KMT2ANPSR1 | |
| SCHEMBL4201730 | 0.75 | CYP1A2 (0.67) | CYP1A2CYP2C19CYP2C9TSHRNPSR1 | |
| SCHEMBL5858401 | 0.74 | CYP1A2 (0.55) | CYP1A2CYP2C19CYP2C9KMT2ANPSR1 | |
| SCHEMBL11648233 | 0.72 | CYP1A2 (0.62) | CYP1A2CYP2D6CYP2C19CYP2C9TSHR | |
| SCHEMBL8654140 | 0.72 | CYP1A2 (0.53) | CYP1A2CYP2C19CYP2C9KMT2ANPSR1 | |
| SCHEMBL11650167 | 0.72 | CYP1A2 (0.53) | CYP1A2CYP2D6CYP2C19CYP2C9TSHR | |
| SCHEMBL11649200 | 0.72 | CYP1A2 (0.67) | CYP1A2CYP2C19CYP2C9TSHRGAA |
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-5464741-A | Palladium (II) octaethylporphine alpha-isothiocyanate as a phosphorescent label for immunoassays | HENWELL, INC. (US) | 1995-11-07 | — | — | US | disclosed |