Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 3/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | HPGD | P15428 | 2/20 | 0.30 |
| ▸ | APEX1 | P27695 | 2/20 | 0.30 |
| ▸ | RECQL | P46063 | 2/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.30 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6996663 | 0.85 | SLC6A4 (0.34) | — | |
| SCHEMBL7985549 | 0.72 | MAPT (0.43) | ESR1ESR2MAPTTDP1MEN1 | |
| SCHEMBL6996400 | 0.72 | PIKFYVE (0.32) | ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL6991858 | 0.71 | CYP3A4 (0.33) | CYP3A4 | |
| SCHEMBL6611984 | 0.69 | PARP1 (0.45) | MEN1KMT2AKDM4E | |
| SCHEMBL7708028 | 0.69 | NOS3 (0.43) | PTGS2MAPK1 | |
| SCHEMBL6994127 | 0.68 | PARP1 (0.50) | — | |
| SCHEMBL7985616 | 0.67 | MAPT (0.47) | NFKB1ESR1ESR2MAPTMEN1 | |
| SCHEMBL5670575 | 0.66 | ESR1 (0.35) | ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL7711450 | 0.66 | PARP1 (0.42) | MEN1KMT2A |
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 |