Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | P2RY6 | Q15077 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CAPN9 | O14815 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 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 | |
|---|---|---|---|---|
| SCHEMBL7003210 | 0.89 | KMT2A (0.48) | ALDH1A1CYP1A2CYP3A4ALOX15HSD17B10 | |
| SCHEMBL8112059 | 0.87 | KMT2A (0.47) | ALDH1A1CYP1A2CYP3A4ALOX15HSD17B10 | |
| SCHEMBL2101407 | 0.84 | PARP1 (0.54) | ALDH1A1CYP1A2CYP3A4ALOX15HSD17B10 | |
| SCHEMBL2100537 | 0.84 | PARP1 (0.54) | ALDH1A1CYP1A2CYP3A4ALOX15HSD17B10 | |
| SCHEMBL3590372 | 0.84 | PARP1 (0.54) | ALDH1A1CYP1A2CYP3A4ALOX15HSD17B10 | |
| SCHEMBL6999391 | 0.82 | KMT2A (0.46) | ALDH1A1CYP1A2CYP3A4ALOX15HSD17B10 | |
| SCHEMBL7988135 | 0.75 | BRD4 (0.53) | ALDH1A1ALOX15HSD17B10MAPTMEN1 | |
| SCHEMBL7001440 | 0.75 | ALDH1A1 (0.40) | ALDH1A1CYP1A2CYP3A4ALOX15HSD17B10 | |
| SCHEMBL6999139 | 0.75 | AKR1B1 (0.39) | ALDH1A1CYP1A2CYP3A4AKR1B1MAPT | |
| SCHEMBL7710786 | 0.74 | NR1D1 (0.39) | ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-1015437-A1 | BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS | SCHERING AKTIENGESELLSCHAFT (DE) | 2000-07-05 | — | — | EP | disclosed |
| WO-1999012915-A1 | BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS | SCHERING AKTIENGESELLSCHAFT (DE) | 1999-03-18 | — | — | WO | disclosed |