Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7338804 | 0.91 | TSHR (0.46) | TSHRMAPK1POLBNPC1KDM4E | |
| SCHEMBL800998 | 0.79 | POLB (0.54) | TSHRMAPK1POLBNPC1KDM4E | |
| SCHEMBL81248 | 0.78 | HRH3 (0.65) | TSHRMAPK1KDM4ECNR2BCHE | |
| SCHEMBL375111 | 0.78 | KDM4E (0.68) | TSHRMAPK1KDM4ECNR2BCHE | |
| SCHEMBL5656109 | 0.78 | CARM1 (0.48) | TSHRPOLBKDM4EL3MBTL1ALDH1A1 | |
| SCHEMBL27844816 | 0.77 | TSHR (0.61) | TSHRMAPK1POLBKDM4ECNR2 | |
| SCHEMBL18746150 | 0.76 | POLB (0.51) | TSHRMAPK1POLBNPC1KDM4E | |
| SCHEMBL20012323 | 0.76 | POLB (0.51) | TSHRMAPK1POLBNPC1KDM4E | |
| Water SCHEMBL5507580 | 0.76 | HRH3 (0.62) | TSHRMAPK1POLBKDM4ECNR2 | |
| Iodide SCHEMBL21693881 | 0.76 | HRH3 (0.62) | TSHRMAPK1POLBKDM4ECNR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0619300-B1 | Process for the preparation of halogenmethylbenzoyl cyanides and halogenmethyl benzoylcyanides | BASF AG (DE) | 1996-12-27 | — | — | EP | disclosed |
| EP-0619300-A2 | Process for the preparation of halogenmethylbenzoyl cyanides and halogenmethyl benzoylcyanides | BASF Aktiengesellschaft (DE) | 1994-10-12 | — | — | EP | disclosed |