Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 6/20 | 0.40 |
| ▸ | SMYD3 | Q9H7B4 | 3/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.34 |
| ▸ | SSTR4 | P31391 | 2/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7094456 | 0.90 | SSTR4 (0.35) | MEN1KMT2AATMSSTR4MAPK10 | |
| SCHEMBL7711411 | 0.81 | PARP1 (0.40) | PARP1SMYD3MAOBADORA2AKDR | |
| SCHEMBL7705092 | 0.81 | NPSR1 (0.36) | MEN1KMT2AATMSSTR4NPSR1 | |
| SCHEMBL7711103 | 0.81 | SMYD3 (0.39) | PARP1SMYD3MAOBADORA2AKDR | |
| SCHEMBL7705086 | 0.80 | NPSR1 (0.35) | MEN1KMT2AATMSSTR4MAPK10 | |
| SCHEMBL7711428 | 0.80 | PARP1 (0.39) | PARP1SMYD3MAOBADORA2AKDR | |
| SCHEMBL7708173 | 0.79 | MAPT (0.39) | PARP1SMYD3MAOBADORA2AKDR | |
| SCHEMBL7711391 | 0.79 | SMYD3 (0.38) | PARP1SMYD3MAOBADORA2AKDR | |
| SCHEMBL8253091 | 0.72 | PARP1 (0.58) | PARP1SMYD3PDE3BPDE3ABRD4 | |
| SCHEMBL7096395 | 0.72 | NPC1 (0.33) | KMT2AMAPK10 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |