Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.42 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.42 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.42 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Bromobenzene SCHEMBL9230442 | 0.94 | ALDH1A1 (0.65) | TSHRALDH1A1TDP1MAPK1CYP1A2 | |
| Bromobenzene SCHEMBL2723995 | 0.91 | ALDH1A1 (0.69) | TSHRALDH1A1TDP1MAPK1CYP1A2 | |
| 1,4-Dichlorobenzene SCHEMBL10839178 | 0.87 | CYP2A6 (0.61) | TSHRALDH1A1TDP1MAPK1CYP1A2 | |
| SCHEMBL197605 | 0.87 | — | — | |
| Iodobenzene SCHEMBL28843730 | 0.85 | ALDH1A1 (0.46) | TSHRALDH1A1TDP1MAPK1CYP1A2 | |
| Magnesium SCHEMBL30533117 | 0.84 | — | — | |
| SCHEMBL11575659 | 0.84 | — | — | |
| Water SCHEMBL15842032 | 0.84 | — | — | |
| Fluoride SCHEMBL2941684 | 0.84 | CYP2A6 (0.57) | TSHRALDH1A1TDP1MAPK1CYP1A2 | |
| SCHEMBL231632 | 0.84 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0723525-A4 | PROCESS FOR DECREASING CHLORINE CONTENT IN CHLORINATED HYDROCARBONS | UNIV PRINCETON (US) | 1996-09-25 | — | — | EP | disclosed |
| EP-0723525-A1 | PROCESS FOR DECREASING CHLORINE CONTENT IN CHLORINATED HYDROCARBONS | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 1996-07-31 | — | — | EP | disclosed |
| WO-1995010484-A1 | PROCESS FOR DECREASING CHLORINE CONTENT IN CHLORINATED HYDROCARBONS | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 1995-04-20 | — | — | WO | disclosed |
| US-4466870-A | REDUCTION OF ARYL HALIDES, CYCLOADDITION, PRODUCTION OF TETRAMESITYLDISILENE | NORTH DAKOTA STATE UNIVERSITY DEVELOPMENT FOUNDATION (US) | 1984-08-21 | — | — | US | disclosed |