Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 3/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | TNNI3 | P19429 | 1/20 | 0.36 |
| ▸ | TNNT2 | P45379 | 1/20 | 0.36 |
| ▸ | TNNC1 | P63316 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 2/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6347092 | 0.72 | GAA (0.43) | PARP1HRH3 | |
| SCHEMBL6015706 | 0.71 | HRH4 (0.43) | PARP1ADORA2AADORA1 | |
| SCHEMBL17423817 | 0.71 | — | — | |
| SCHEMBL6015813 | 0.71 | KEAP1 (0.46) | ALDH1A1PARP1ACHEMAPTHRH3 | |
| SCHEMBL6015768 | 0.70 | KDM4E (0.47) | ALDH1A1PARP1HRH3KDM4EHTR1A | |
| SCHEMBL10859553 | 0.68 | ALDH1A1 (0.56) | ALDH1A1TSHRATMNPSR1BCHE | |
| SCHEMBL9740109 | 0.67 | IDH1 (0.42) | MEN1KMT2ALTA4H | |
| SCHEMBL6015822 | 0.66 | CHKA (0.55) | ALDH1A1PARP1KDM4E | |
| SCHEMBL6015765 | 0.66 | PHLPP2 (0.51) | ALDH1A1TSHRACHEMEN1KMT2A | |
| SCHEMBL10065870 | 0.64 | PYCR1 (0.55) | ALDH1A1TSHRATMNPSR1BCHE |
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 |
|---|---|---|---|---|---|---|---|
| US-7049312-B1 | Benzothiazinone and benzoxazinone compounds | ABBOTT GMBH & CO. KG (DE) | 2006-05-23 | — | — | US | claimed |
| US-7049312-B1 | Benzothiazinone and benzoxazinone compounds | ABBOTT GMBH & CO. KG (DE) | 2006-05-23 | — | — | US | disclosed |
| EP-1181282-A2 | BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS | BASF AKTIENGESELLSCHAFT (DE) | 2002-02-27 | — | — | EP | disclosed |
| WO-2000075139-A2 | BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS | BASF AKTIENGESELLSCHAFT (DE) | 2000-12-14 | — | — | WO | disclosed |