Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 2/20 | 0.36 |
| ▸ | NEK2 | P51955 | 1/20 | 0.35 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.35 |
| ▸ | WNT3A | P56704 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6999811 | 0.89 | ATM (0.47) | ALDH1A1MAPTALOX5ATMKDM4E | |
| SCHEMBL8113447 | 0.88 | ALDH1A1 (0.43) | ALDH1A1MAPTALOX5ATMKDM4E | |
| SCHEMBL7002378 | 0.84 | PKM (0.47) | ALDH1A1MAPTALOX5KDM4ESMN1; SMN2 | |
| SCHEMBL6996551 | 0.78 | ALDH1A1 (0.45) | ALDH1A1MAPTALOX5KDM4ESMN1; SMN2 | |
| SCHEMBL1928583 | 0.76 | ALOX5 (0.68) | ALDH1A1MAPTALOX5KDM4EHTR7 | |
| SCHEMBL5670589 | 0.73 | AHR (0.39) | ALDH1A1MAPTSMN1; SMN2HTR7HTR2B | |
| Hydrochloric Acid SCHEMBL5672533 | 0.72 | AHR (0.38) | MAPTSMN1; SMN2HTR7HTR2BKMT2A | |
| SCHEMBL7000207 | 0.70 | SMYD3 (0.58) | ALDH1A1MAPTKDM4E | |
| SCHEMBL532500 | 0.69 | ALDH1A1 (1.00) | ALDH1A1MAPTKDM4ESMN1; SMN2RXFP1 | |
| SCHEMBL29550875 | 0.69 | ALDH1A1 (1.00) | ALDH1A1MAPTKDM4ESMN1; SMN2RXFP1 |
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 |