Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | METAP2 | P50579 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | QSOX1 | O00391 | 1/20 | 0.37 |
| ▸ | RGS12 | O14924 | 1/20 | 0.37 |
| ▸ | PMM2 | O15305 | 1/20 | 0.37 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.37 |
| ▸ | GMNN | O75496 | 1/20 | 0.37 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYBB | P04839 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10501435 | 0.88 | SMN1; SMN2 (0.45) | ALDH1A1TDP1METAP2KMT2ALMNA | |
| SCHEMBL10501110 | 0.84 | METAP2 (0.47) | ALDH1A1METAP2CYP3A4KMT2ALMNA | |
| SCHEMBL10501626 | 0.84 | METAP2 (0.59) | ALDH1A1TDP1METAP2CYP3A4CYP2C9 | |
| SCHEMBL10501994 | 0.81 | POLB (0.52) | ALDH1A1METAP2HTTMAPTPOLB | |
| SCHEMBL10502218 | 0.80 | CYP1A2 (0.47) | ALDH1A1TDP1METAP2CYP2C9CYP2C19 | |
| SCHEMBL10503512 | 0.77 | ALDH1A1 (0.44) | ALDH1A1TDP1METAP2CYP3A4CYP2C9 | |
| SCHEMBL10502143 | 0.76 | METAP2 (0.45) | ALDH1A1TDP1METAP2CYP3A4KMT2A | |
| SCHEMBL10501265 | 0.76 | MPI (0.49) | ALDH1A1TDP1METAP2CYP3A4KMT2A | |
| SCHEMBL10502534 | 0.74 | MPI (0.51) | ALDH1A1CYP3A4HTTKMT2ALMNA | |
| SCHEMBL10748117 | 0.74 | PIN1 (0.45) | — |
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-0154851-B1 | BENZISOSELENAZOLETHIONES,PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PRODUCTS CONTAINING THESE COMPOUNDS | A. Nattermann & Cie. GmbH (DE) | 1989-08-02 | — | — | EP | disclosed |
| 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 |