Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.49 |
| ▸ | VCP | P55072 | 5/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | MTOR | P42345 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.44 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.44 |
| ▸ | FBP1 | P09467 | 6/20 | 0.43 |
| ▸ | EGFR | P00533 | 2/20 | 0.42 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | ABL2 | P42684 | 1/20 | 0.42 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | GALR2 | O43603 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6999641 | 1.00 | PARP1 (0.49) | PARP1VCPNPC1MTORRAB9A | |
| SCHEMBL5188341 | 0.80 | PARP1 (0.57) | PARP1PDE3BPDE3ASMYD3ALDH1A1 | |
| SCHEMBL532347 | 0.80 | PARP1 (0.57) | PARP1PDE3BPDE3ASMYD3ALDH1A1 | |
| SCHEMBL5342897 | 0.80 | PARP1 (0.57) | PARP1PDE3BPDE3ASMYD3ALDH1A1 | |
| SCHEMBL7711338 | 0.79 | PARP1 (0.52) | PARP1PDE3BPDE3ASMYD3 | |
| SCHEMBL531954 | 0.79 | ALOX5 (0.55) | PARP1PDE3BPDE3ASMYD3ALDH1A1 | |
| SCHEMBL6998554 | 0.79 | PARP1 (0.52) | PARP1PDE3BPDE3ASMYD3 | |
| SCHEMBL531955 | 0.79 | ALOX5 (0.55) | PARP1PDE3BPDE3ASMYD3ALDH1A1 | |
| SCHEMBL6996421 | 0.78 | PARP1 (0.48) | PARP1PDE3BPDE3ASMYD3 | |
| SCHEMBL6996415 | 0.78 | PARP1 (0.48) | PARP1PDE3BPDE3ASMYD3 |
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 |