Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | NUDT1 | P36639 | 5/20 | 0.34 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.33 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.33 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.33 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.33 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 2/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | SRC | P12931 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30479656 | 0.77 | PARP1 (0.50) | PARP1 | |
| SCHEMBL10381392 | 0.77 | PARP1 (0.50) | PARP1 | |
| SCHEMBL430401 | 0.76 | ADRB2 (0.53) | HTR1AADRB2ADRB1OPRK1 | |
| SCHEMBL4895504 | 0.74 | EGFR (0.34) | HTR1ADRD2 | |
| SCHEMBL4793712 | 0.72 | PARP1 (0.46) | PARP1 | |
| SCHEMBL29588862 | 0.71 | ADRB2 (0.52) | HTR1AADRB2ADRB1 | |
| SCHEMBL2487204 | 0.71 | ADRB2 (0.52) | HTR1AADRB2ADRB1 | |
| SCHEMBL3376891 | 0.71 | ADRB2 (0.34) | S1PR1S1PR3HTR1AADRB2ADRB1 | |
| Hydrochloric Acid SCHEMBL5732143 | 0.71 | PARP1 (0.45) | PARP1 | |
| SCHEMBL4703624 | 0.71 | PRMT5 (0.40) | PARP1NUDT1PRMT5WDR77GRIA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6407096-B1 | 1,4-BENZOTHIAZINE AND 1,4-BENZOXAZINE DERIVATIVES; HYPOTENSIVE, ANTIISCHEMIC, ANTIALLERGEN, ANTIASTHMATIC AND ANTICOAGULANT AGENTS; CARDIOVASCULAR DISORDERS | TORAY INDUSTRIES, INC. (JP) | 2002-06-18 | — | — | US | disclosed |
| EP-1028113-A1 | FUSED BENZENE HETEROCYCLE DERIVATIVES AND UTILIZATION THEREOF | TORAY INDUSTRIES, INC. (JP) | 2000-08-16 | — | — | EP | disclosed |