Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.46 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 7/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 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 | |
|---|---|---|---|---|
| SCHEMBL5916627 | 0.87 | CYP1A2 (0.49) | CYP1A2TSHRNCOA1NCOA3POLB | |
| SCHEMBL10502218 | 0.81 | CYP1A2 (0.47) | CYP1A2NCOA1NCOA3POLBMAPT | |
| SCHEMBL10501763 | 0.73 | ALDH1A1 (0.44) | CYP1A2TSHRPOLBMAPTALDH1A1 | |
| SCHEMBL10748399 | 0.72 | CYP3A4 (0.39) | POLBMAPTALDH1A1KDM4ELMNA | |
| SCHEMBL10503512 | 0.71 | ALDH1A1 (0.44) | POLBMAPTALDH1A1KDM4ELMNA | |
| SCHEMBL10748117 | 0.71 | PIN1 (0.45) | — | |
| SCHEMBL10747422 | 0.70 | MEN1 (0.41) | TSHRPOLBMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL31067259 | 0.70 | CYP1A2 (0.65) | CYP1A2TSHRNCOA1NCOA3POLB | |
| SCHEMBL5916849 | 0.69 | LMNA (0.48) | CYP1A2POLBMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL10747582 | 0.69 | METAP2 (0.40) | POLBMAPTALDH1A1KDM4ELMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-4711961-A | Benzisoselenazolethiones and process for the treatment of various diseases in humans | A. NATTERMANN & CIE GMBH (DE) | 1987-12-08 | — | — | US | disclosed |
| EP-0154851-A1 | Benzisoselenazolethiones,process for their preparation and pharmaceutical products containing these compounds | A. Nattermann & Cie. GmbH (DE) | 1985-09-18 | — | — | EP | disclosed |