Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 2/20 | 0.34 |
| ▸ | CTSK | P43235 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.34 |
| ▸ | HPGD | P15428 | 5/20 | 0.34 |
| ▸ | HTT | P42858 | 5/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | PKM | P14618 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | XBP1 | P17861 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PTPRB | P23467 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7708029 | 0.91 | PARP1 (0.41) | CTSSCTSKALDH1A1HPGDHTT | |
| SCHEMBL7095640 | 0.91 | ALDH1A1 (0.37) | ALDH1A1HPGDHTTNPSR1LMNA | |
| SCHEMBL7087725 | 0.90 | CTSS (0.41) | CTSSCTSKALDH1A1HPGDHTT | |
| SCHEMBL7092472 | 0.90 | HSD17B10 (0.37) | ALDH1A1HPGDHTTNPSR1LMNA | |
| SCHEMBL7704943 | 0.90 | ALDH1A1 (0.43) | CTSSCTSKALDH1A1HPGDHTT | |
| SCHEMBL7094044 | 0.89 | SMN1; SMN2 (0.40) | ALDH1A1HPGDHTTNPSR1LMNA | |
| SCHEMBL7093832 | 0.87 | PTPRB (0.37) | ALDH1A1HPGDHTTNPSR1LMNA | |
| SCHEMBL7710783 | 0.87 | PPARG (0.39) | ALDH1A1HPGDHTTNPSR1LMNA | |
| SCHEMBL7095139 | 0.87 | CA2 (0.41) | ALDH1A1HPGDHTTNPSR1LMNA | |
| SCHEMBL7091267 | 0.86 | HSD17B10 (0.33) | CTSSCTSKALDH1A1HPGDHTT |
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 |