Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | EP300 | Q09472 | 3/20 | 0.43 |
| ▸ | CREBBP | Q92793 | 3/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.41 |
| ▸ | CHRNA1 | P02708 | 2/20 | 0.40 |
| ▸ | CHRNG | P07510 | 2/20 | 0.40 |
| ▸ | CHRNB1 | P11230 | 2/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.40 |
| ▸ | CHRND | Q07001 | 2/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | HCAR3 | P49019 | 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 | |
|---|---|---|---|---|
| SCHEMBL20329719 | 0.93 | CCR2 (0.48) | CCR2SLC6A3SLC6A4SLC6A2HDAC4 | |
| SCHEMBL5759031 | 0.86 | CCR2 (0.46) | CCR2SLC6A3SLC6A4SLC6A2CHRNA1 | |
| SCHEMBL9466663 | 0.85 | AKR1C1 (0.59) | CCR2SLC6A3SLC6A4SLC6A2HDAC4 | |
| SCHEMBL5753450 | 0.84 | OPRM1 (0.45) | CCR2SLC6A4KCNH2MEN1KMT2A | |
| SCHEMBL18742689 | 0.83 | LMNA (0.48) | CCR2SLC6A3SLC6A4SLC6A2HDAC4 | |
| SCHEMBL3110960 | 0.81 | AKR1C1 (0.65) | CCR2SLC6A3SLC6A4SLC6A2HDAC4 | |
| SCHEMBL29886254 | 0.81 | SLC6A4 (0.49) | CCR2SLC6A3SLC6A4SLC6A2HDAC4 | |
| SCHEMBL28595250 | 0.81 | SLC6A4 (0.49) | CCR2SLC6A3SLC6A4SLC6A2HDAC4 | |
| Hydrochloric Acid SCHEMBL28595251 | 0.80 | AKR1C1 (0.62) | CCR2SLC6A3SLC6A4SLC6A2HDAC4 | |
| SCHEMBL4827909 | 0.80 | AKR1C1 (0.62) | CCR2SLC6A3SLC6A4SLC6A2HDAC4 |
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-0715620-B1 | 1-ARYLCYCLOALKYL SULPHIDES, SULPHOXIDES AND SULPHONES FOR THE TREATMENT OF DEPRESSION, ANXIETY AND PARKINSON'S DISEASE | KNOLL AG (DE) | 1998-10-28 | — | — | EP | disclosed |
| US-5652271-A | ANTIDEPRESSANTS, NERVOUS SYSTEM DISORDERS | KNOLL AKTIENGESELLSCHAFT (DE) | 1997-07-29 | — | — | US | disclosed |
| EP-0715620-A1 | 1-ARYLCYCLOALKYL SULPHIDES, SULPHOXIDES AND SULPHONES FOR THE TREATMENT OF DEPRESSION, ANXIETY AND PARKINSON'S DISEASE | Knoll AG (DE) | 1996-06-12 | — | — | EP | disclosed |
| WO-1994026704-A1 | 1-ARYLCYCLOALKYL SULPHIDES, SULPHOXIDES AND SULPHONES FOR THE TREATMENT OF DEPRESSION, ANXIETY AND PARKINSON'S DISEASE | THE BOOTS COMPANY PLC (GB) | 1994-11-24 | — | — | WO | disclosed |