Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | KCNN4 | O15554 | 4/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | PGK1 | P00558 | 1/20 | 0.34 |
| ▸ | PGK2 | P07205 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4219815 | 0.79 | TSHR (0.58) | ALDH1A1TSHRCYP1A2PTPN1KCNN4 | |
| SCHEMBL5720508 | 0.79 | TSHR (0.58) | ALDH1A1TSHRCYP1A2PTPN1KCNN4 | |
| Trifluoromethylbenzene SCHEMBL6439041 | 0.77 | TSHR (0.82) | ALDH1A1TSHRCYP1A2PTPN1KCNN4 | |
| Trifluoromethylbenzene SCHEMBL31493124 | 0.75 | TSHR (0.93) | ALDH1A1TSHRCYP1A2PTPN1KCNN4 | |
| SCHEMBL21831068 | 0.75 | TSHR (0.61) | ALDH1A1TSHRCYP1A2PTPN1KCNN4 | |
| SCHEMBL10873447 | 0.75 | ALDH1A1 (0.61) | ALDH1A1TSHRCYP1A2PTPN1KCNN4 | |
| SCHEMBL127092 | 0.75 | ALDH1A1 (0.61) | ALDH1A1TSHRCYP1A2PTPN1KCNN4 | |
| SCHEMBL1128768 | 0.75 | TSHR (0.61) | ALDH1A1TSHRCYP1A2PTPN1KCNN4 | |
| SCHEMBL4448673 | 0.75 | TSHR (0.61) | ALDH1A1TSHRCYP1A2PTPN1KCNN4 | |
| SCHEMBL7644764 | 0.74 | TSHR (0.52) | ALDH1A1TSHRCYP1A2PTPN1KCNN4 |
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-0009787-B2 | PROCESS FOR THE MONOHALOGENATION OF ALKYLBENZENES IN ALPHA POSITION | BAYER AG (DE) | 1986-07-09 | — | — | EP | disclosed |
| US-4331821-A | ULTRAVIOLET RADIATION OF A VAPORIZED ALKYLBENZEN AND HALOGEN GAS MIXTURE | BAYER AKTIENGESELLSCHAFT (DE) | 1982-05-25 | — | — | US | disclosed |
| EP-0009787-B1 | PROCESS FOR THE MONOHALOGENATION OF ALKYLBENZENES IN ALPHA POSITION | BAYER AG (DE) | 1982-01-13 | — | — | EP | disclosed |
| EP-0009787-A2 | Process for the monohalogenation of alkylbenzenes in alpha position | BAYER AG (DE) | 1980-04-16 | — | — | EP | disclosed |