Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6575270 | 0.78 | HSP90AA1 (0.44) | SLC18A3HSP90AA1DRD2HTR2AALDH1A1 | |
| SCHEMBL6359153 | 0.78 | HSP90AA1 (0.44) | SLC18A3HSP90AA1DRD2HTR2AALDH1A1 | |
| SCHEMBL4873492 | 0.78 | HSP90AA1 (0.44) | SLC18A3HSP90AA1DRD2HTR2AALDH1A1 | |
| SCHEMBL4870044 | 0.78 | HSP90AA1 (0.44) | SLC18A3HSP90AA1DRD2HTR2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL7505359 | 0.77 | CHRNA7 (0.52) | HTR1A | |
| SCHEMBL18339371 | 0.77 | HSP90AA1 (0.49) | HSP90AA1DRD2HTR2AALDH1A1MAPT | |
| SCHEMBL18340274 | 0.77 | HSP90AA1 (0.49) | HSP90AA1DRD2HTR2AALDH1A1MAPT | |
| SCHEMBL6616312 | 0.77 | HSP90AA1 (0.49) | HSP90AA1DRD2HTR2AALDH1A1MAPT | |
| SCHEMBL4870039 | 0.76 | SIRT2 (0.44) | HSP90AA1ALDH1A1MAPTMEN1LMNA | |
| SCHEMBL7010627 | 0.76 | PDE7A (0.47) | HSP90AA1HIF1AHTR1A |
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-0329563-B1 | BENZOCYCLOHEXANE AND BENZOCYCLOHEPTANE DERIVATIVES AND THEIR SALTS, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM | ROUSSEL-UCLAF (FR) | 1993-04-21 | — | — | EP | disclosed |
| US-5130329-A | Amino, amide substituted compounds | ROUSSEL UCLAF (FR) | 1992-07-14 | — | — | US | disclosed |
| US-5068244-A | Benzcarbocyclic amides with nitro groups | ROUSSEL UCLAF (FR) | 1991-11-26 | — | — | US | disclosed |
| EP-0329563-A2 | Benzocyclohexane and benzocycloheptane derivatives and their salts, process and intermediates for their preparation, their use as medicines and compositions containing them | ROUSSEL-UCLAF (FR) | 1989-08-23 | — | — | EP | disclosed |