Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.30 |
| ▸ | HTR3B | O95264 | 1/20 | 0.30 |
| ▸ | HTR3A | P46098 | 1/20 | 0.30 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.30 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11682896 | 0.90 | TSHR (0.41) | TSHRALDH1A1CYP3A4THRBHPGD | |
| SCHEMBL11684241 | 0.87 | CYP2D6 (0.33) | TSHRALDH1A1CYP3A4THRBHPGD | |
| SCHEMBL11685019 | 0.83 | TSHR (0.47) | TSHRALDH1A1CYP3A4THRBHPGD | |
| O-Tolylamine SCHEMBL11683440 | 0.82 | CYP3A4 (0.43) | ALDH1A1CYP3A4HPGDHSD17B10CYP2D6 | |
| Aniline SCHEMBL11686945 | 0.81 | CYP2D6 (0.41) | TSHRALDH1A1CYP3A4HSD17B10CYP2D6 | |
| SCHEMBL11683650 | 0.79 | FFAR4 (0.34) | CYP2D6MEN1KMT2AGAA | |
| SCHEMBL11685057 | 0.79 | ALDH1A1 (0.49) | TSHRALDH1A1HPGD | |
| SCHEMBL11683545 | 0.78 | CYP2D6 (0.31) | CYP2D6 | |
| 3-Chloroaniline SCHEMBL11682458 | 0.78 | ALDH1A1 (0.49) | TSHRALDH1A1CYP3A4THRBHPGD | |
| SCHEMBL11686664 | 0.77 | CYP2D6 (0.31) | CYP2D6 |
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-4055557-A | MONOAZO DYES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-10-25 | — | — | US | disclosed |