Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | CAPN9 | O14815 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL6991146 | 0.88 | ALDH1A1 (0.46) | TDP1ALDH1A1CYP3A4TSHRMAPT | |
| SCHEMBL8118539 | 0.87 | MAPT (0.40) | TDP1ALDH1A1CYP3A4TSHRMAPT | |
| SCHEMBL6995764 | 0.83 | CHRM2 (0.41) | TDP1ALDH1A1MAPTMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL6992777 | 0.82 | CHRM2 (0.40) | TDP1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL7002717 | 0.82 | TDP1 (0.42) | TDP1ALDH1A1CYP3A4TSHRMAPT | |
| SCHEMBL6991287 | 0.80 | KMT2A (0.44) | TDP1ALDH1A1CYP3A4TSHRMAPT | |
| SCHEMBL30867064 | 0.75 | MEN1 (0.57) | TDP1ALDH1A1CYP3A4MAPTMEN1 | |
| SCHEMBL10650637 | 0.75 | MEN1 (0.57) | TDP1ALDH1A1CYP3A4MAPTMEN1 | |
| SCHEMBL7002334 | 0.74 | ALDH1A1 (0.41) | ALDH1A1CYP3A4TSHRMAPTMEN1 | |
| SCHEMBL6999113 | 0.74 | ALDH1A1 (0.46) | TDP1ALDH1A1CYP3A4TSHRMAPT |
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-1015437-B1 | BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS | SCHERING AG (DE) | 2003-12-03 | — | — | EP | disclosed |
| US-6365736-B1 | TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS. | SCHERING AKTIENGESELLSCHAFT (DE) | 2002-04-02 | — | — | US | disclosed |