Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.38 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.38 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21317609 | 0.86 | CALM1 (0.53) | ALDH1A1TDP1TSHRTRPA1CALM1 | |
| (Chloromethyl)Benzene SCHEMBL4746769 | 0.86 | CALM1 (0.53) | ALDH1A1TDP1TSHRTRPA1CALM1 | |
| (Chloromethyl)Benzene SCHEMBL1331085 | 0.86 | — | — | |
| (Chloromethyl)Benzene SCHEMBL7413 | 0.86 | — | — | |
| (Chloromethyl)Benzene SCHEMBL6422666 | 0.86 | CALM1 (0.53) | ALDH1A1TDP1TSHRTRPA1CALM1 | |
| (Chloromethyl)Benzene SCHEMBL29794364 | 0.86 | — | — | |
| (Chloromethyl)Benzene SCHEMBL1616642 | 0.86 | — | — | |
| (Chloromethyl)Benzene SCHEMBL29919724 | 0.86 | — | — | |
| (Chloromethyl)Benzene SCHEMBL28090317 | 0.83 | TSHR (0.48) | ALDH1A1TDP1TSHRTRPA1CALM1 | |
| (Chloromethyl)Benzene SCHEMBL7634625 | 0.83 | CALM1 (0.50) | ALDH1A1TDP1TSHRTRPA1CALM1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3898574-A1 | PROCESS FOR PREPARING SUBSTITUTED ANILINES | Bayer Aktiengesellschaft (DE) | 2021-10-27 | — | — | EP | disclosed |
| WO-2020126819-A1 | PROCESS FOR PREPARING SUBSTITUTED ANILINES | BAYER AKTIENGESELLSCHAFT (DE) | 2020-06-25 | — | — | WO | disclosed |
| EP-0405609-B1 | Process for preparing polyarylene sulfides | IDEMITSU PETROCHEMICAL CO (JP) | 1997-11-19 | — | — | EP | disclosed |