Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL8252 | 0.93 | CYP3A4 (0.52) | CYP3A4MAPTKDM4EIDO1MEN1 | |
| Bromide SCHEMBL28406943 | 0.91 | CYP3A4 (0.50) | CYP3A4MAPTKDM4EIDO1MEN1 | |
| SCHEMBL28377529 | 0.85 | CYP3A4 (0.45) | CYP3A4MAPTKDM4EIDO1MEN1 | |
| SCHEMBL10048276 | 0.82 | CYP1A2 (0.53) | MAPTIDO1MEN1KMT2ASIGMAR1 | |
| Benzaldehyde SCHEMBL8037478 | 0.79 | ALDH1A1 (0.50) | CYP3A4MAPTKDM4EMEN1KMT2A | |
| Chlorobenzene SCHEMBL28378842 | 0.77 | SIGMAR1 (0.41) | CYP3A4MAPTKDM4EMEN1KMT2A | |
| SCHEMBL7955870 | 0.76 | SIGMAR1 (0.50) | CYP3A4MAPTKDM4EIDO1MEN1 | |
| Trifluoromethanesulfonic Acid SCHEMBL3921319 | 0.75 | HTT (0.43) | MAPTHTTCA1CA2 | |
| SCHEMBL11661655 | 0.74 | IDO1 (0.52) | CYP3A4MAPTKDM4EIDO1MEN1 | |
| SCHEMBL6880437 | 0.73 | CHRM2 (0.47) | MAPTKDM4EIDO1MEN1KMT2A |
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-5269816-A | Water-soluble reactive triazine dye | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-12-14 | — | — | US | disclosed |