Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 4/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 6/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.36 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7711316 | 0.90 | CTSS (0.38) | HSD17B1HSD17B2CTSSCTSKIDO1 | |
| SCHEMBL7713374 | 0.82 | PARP1 (0.50) | CTSSCTSKIDO1TSHRPARP1 | |
| SCHEMBL7713294 | 0.81 | PARP1 (0.42) | SMYD3IDO1TSHRPARP1 | |
| SCHEMBL6302681 | 0.81 | MAPT (0.40) | SMYD3IDO1PARP1 | |
| SCHEMBL7713338 | 0.80 | PARP1 (0.42) | SMYD3IDO1TSHRPARP1 | |
| SCHEMBL7708144 | 0.80 | PARP1 (0.42) | SMYD3CTSSCTSKIDO1TSHR | |
| SCHEMBL7710382 | 0.80 | PARP1 (0.40) | SMYD3PARP1 | |
| SCHEMBL7711371 | 0.80 | PARP1 (0.41) | IDO1TSHRPARP1 | |
| SCHEMBL7711115 | 0.80 | AAK1 (0.40) | HSD17B1HSD17B2CTSSCTSKAAK1 | |
| SCHEMBL7713423 | 0.79 | PARP1 (0.41) | SMYD3IDO1TSHRPARP1PDE3B |
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 |