Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.42 |
| ▸ | HPGD | P15428 | 6/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | NR5A1 | Q13285 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6994414 | 0.98 | ALDH1A1 (0.44) | ALDH1A1HPGDKDM4EMAPTTSHR | |
| SCHEMBL7704925 | 0.87 | MEN1 (0.40) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL6998270 | 0.85 | MEN1 (0.43) | ALDH1A1HPGDKDM4EMAPTTSHR | |
| SCHEMBL6999622 | 0.85 | ALDH1A1 (0.38) | ALDH1A1HPGDKDM4EMAPTTSHR | |
| SCHEMBL6993231 | 0.85 | ALDH1A1 (0.38) | ALDH1A1HPGDKDM4EMAPTTSHR | |
| SCHEMBL7713466 | 0.85 | MEN1 (0.40) | ALDH1A1HPGDKDM4EMAPTTSHR | |
| SCHEMBL8113280 | 0.84 | MEN1 (0.37) | ALDH1A1HPGDKDM4EMAPTTSHR | |
| SCHEMBL9163910 | 0.79 | MAPT (0.40) | ALDH1A1HPGDKDM4EMAPTNPSR1 | |
| SCHEMBL9165831 | 0.79 | PDK1 (0.37) | ALDH1A1KDM4EMAPTMAPK1MEN1 | |
| SCHEMBL7710377 | 0.78 | ALDH1A1 (0.47) | ALDH1A1HPGDKDM4EMAPTTSHR |
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 |