Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 3/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 6/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | NEK2 | P51955 | 3/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | THRA | P10827 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.33 |
| ▸ | WNT3A | P56704 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL6015845 | 0.80 | KDM4E (0.31) | ALDH1A1KDM4EPOLB | |
| SCHEMBL4502393 | 0.80 | KDM4E (0.49) | ALDH1A1KDM4EMAPTTP53POLB | |
| SCHEMBL6016013 | 0.74 | ALDH1A1 (0.37) | ALDH1A1KDM4EMAPK1LMNAPOLB | |
| SCHEMBL6016047 | 0.74 | HTR3A (0.39) | ALDH1A1KDM4EMAPTPOLBMEN1 | |
| SCHEMBL6015894 | 0.74 | ALDH1A1 (0.42) | ALDH1A1KDM4ERAB9ALMNAPOLB | |
| SCHEMBL5540470 | 0.74 | CA12 (0.50) | ALDH1A1KDM4EMAPK1MAPTTP53 | |
| SCHEMBL6015815 | 0.72 | DPP4 (0.31) | — | |
| SCHEMBL6015706 | 0.72 | HRH4 (0.43) | — | |
| SCHEMBL17423817 | 0.70 | — | — | |
| SCHEMBL5539416 | 0.69 | ESR1 (0.50) | ALDH1A1MAPK1MAPTTP53RAB9A |
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 |
| EP-1181282-A2 | BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS | BASF AKTIENGESELLSCHAFT (DE) | 2002-02-27 | — | — | EP | claimed |
| WO-2000075139-A2 | BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS | BASF AKTIENGESELLSCHAFT (DE) | 2000-12-14 | — | — | WO | claimed |
| US-7049312-B1 | Benzothiazinone and benzoxazinone compounds | ABBOTT GMBH & CO. KG (DE) | 2006-05-23 | — | — | US | disclosed |