Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.64 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | EEF2K | O00418 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Benzonitrile SCHEMBL28806619 | 0.91 | TSHR (0.70) | TSHRMAPTMAOAMAOBKAT6A | |
| Benzonitrile SCHEMBL7635221 | 0.91 | TSHR (0.70) | TSHRMAPTMAOAMAOBKAT6A | |
| Benzonitrile SCHEMBL12469615 | 0.91 | TSHR (0.70) | TSHRMAPTMAOAMAOBKAT6A | |
| Benzonitrile SCHEMBL65862 | 0.91 | TSHR (0.70) | TSHRMAPTMAOAMAOBKAT6A | |
| Benzonitrile SCHEMBL28017673 | 0.86 | TSHR (0.64) | TSHRMAPTMAOAMAOBKAT6A | |
| Benzonitrile SCHEMBL8526292 | 0.86 | TSHR (0.64) | TSHRMAPTMAOAMAOBKAT6A | |
| Benzonitrile SCHEMBL8526302 | 0.84 | TSHR (0.61) | TSHRMAPTMAOAMAOBKAT6A | |
| Benzonitrile SCHEMBL28833409 | 0.83 | TSHR (0.82) | TSHRMAPTMAOAMAOBCA2 | |
| Benzonitrile SCHEMBL28743961 | 0.83 | TSHR (0.67) | TSHRMAPTMAOAMAOBKAT6A | |
| Benzonitrile SCHEMBL7635217 | 0.83 | TSHR (0.58) | TSHRMAPTMAOAMAOBKAT6A |
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-0381033-B1 | Carboxylic-acid and sulphonic-acid amides | HOFFMANN LA ROCHE (CH) | 1994-03-23 | — | — | EP | disclosed |
| EP-0381033-A1 | Carboxylic-acid and sulphonic-acid amides | F. HOFFMANN-LA ROCHE AG (CH) | 1990-08-08 | — | — | EP | disclosed |
| EP-0221344-B1 | SULPHONYL-PHENYL ALKYL AMINES, PROCESS FOR THEIR PREPARATION AND MEDICINES | Roche Diagnostics GmbH (DE) | 1990-05-23 | — | — | EP | disclosed |
| EP-0221344-A1 | Sulphonyl-phenyl alkyl amines, process for their preparation and medicines | Roche Diagnostics GmbH (DE) | 1987-05-13 | — | — | EP | disclosed |