Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.31 |
| ▸ | SLC5A1 | P13866 | 2/20 | 0.31 |
| ▸ | SLC5A2 | P31639 | 2/20 | 0.31 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL8945557 | 0.87 | HTR1D (0.39) | ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL8945230 | 0.86 | ALDH1A1 (0.33) | ALDH1A1CYP3A4TSHRTDP1SPHK1 | |
| SCHEMBL8945336 | 0.85 | ESR2 (0.37) | ESR2ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL8945075 | 0.84 | CYP2C9 (0.44) | ESR2ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL8945103 | 0.83 | SPHK1 (0.37) | ESR2ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL8945040 | 0.82 | SPHK1 (0.38) | ALDH1A1SPHK1 | |
| SCHEMBL7751598 | 0.82 | ESR2 (0.52) | ESR2ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL8945152 | 0.81 | SPHK1 (0.40) | ALDH1A1CYP3A4SPHK1 | |
| SCHEMBL8945348 | 0.80 | SPHK1 (0.41) | ALDH1A1CYP3A4SPHK1 | |
| SCHEMBL8945253 | 0.80 | SPHK1 (0.41) | ALDH1A1CYP3A4SPHK1 |
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-5501884-A | Diamino compounds and their production method and liquid crystal alignment layers using the compounds | CHISSO CORPORATION (JP) | 1996-03-26 | — | — | US | disclosed |