Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F11 | P03951 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 13/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | PDE5A | O76074 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | PTAFR | P25105 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | PDE1A | P54750 | 1/20 | 0.44 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.44 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| 1,4-Dichlorobenzene SCHEMBL11284601 | 0.94 | F11 (0.54) | F11KCNH2DRD2KDM4EMEN1 | |
| 1,2-Dichlorobenzene SCHEMBL11011626 | 0.92 | DRD2 (0.48) | F11KCNH2DRD2KDM4EMEN1 | |
| Fluorobenzene SCHEMBL11270537 | 0.88 | KDM4E (0.44) | DRD2KDM4EMEN1PDE5AALDH1A1 | |
| Bromobenzene SCHEMBL11282337 | 0.88 | KDM4E (0.44) | DRD2KDM4EMEN1PDE5AALDH1A1 | |
| SCHEMBL11274080 | 0.86 | F11 (0.51) | F11KCNH2DRD2KDM4EMEN1 | |
| Nitrobenzene SCHEMBL11274618 | 0.84 | CTSV (0.42) | DRD2KDM4EMEN1PDE5AALDH1A1 | |
| SCHEMBL11269444 | 0.84 | PDE3B (0.47) | F11KCNH2DRD2KDM4EMEN1 | |
| SCHEMBL11292679 | 0.83 | PDE10A (0.42) | DRD2KDM4EMEN1PDE5AALDH1A1 | |
| SCHEMBL11265938 | 0.82 | PDE3B (0.44) | DRD2KDM4EMEN1PDE5AALDH1A1 | |
| Chlorobenzene SCHEMBL11014572 | 0.82 | KDM4E (0.44) | F11KCNH2DRD2KDM4EMEN1 |
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-4329347-A | Cardiotonic and antithrombotic sulfur-containing derivatives of carbostyril | BOEHRINGER INGELHEIM GMBH (DE) | 1982-05-11 | — | — | US | disclosed |