Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.47 |
| ▸ | CA1 | P00915 | 4/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | Q9HBH1 | 4/20 | 0.37 | |
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 | |
|---|---|---|---|---|
| SCHEMBL14531594 | 0.91 | CA2 (0.50) | CA2CA1MAPK1SLC1A2SLC1A1 | |
| SCHEMBL25914745 | 0.89 | CA2 (0.47) | CA2CA1MAPK1SLC1A2SLC1A1 | |
| SCHEMBL21625667 | 0.89 | CA2 (0.56) | CA2CA1MAPK1TDP1CYP3A4 | |
| SCHEMBL14996257 | 0.89 | CA2 (0.56) | CA2CA1MAPK1TDP1CYP3A4 | |
| SCHEMBL18641689 | 0.89 | CA2 (0.47) | CA2CA1MAPK1SLC1A2SLC1A1 | |
| SCHEMBL21095498 | 0.85 | HDAC1 (0.41) | CA2CA1MAPK1CHRM1AKR1A1 | |
| SCHEMBL21231691 | 0.84 | TSHR (0.36) | CA2CA1CHRM1AKR1A1CHRM3 | |
| SCHEMBL23178056 | 0.80 | CA2 (0.48) | CA2CA1MAPK1CHRM1AKR1A1 | |
| SCHEMBL18099967 | 0.79 | CA1 (0.42) | CA2CA1MAPK1TDP1CYP3A4 | |
| SCHEMBL6500352 | 0.78 | DPP7 (0.43) | CA2CA1SLC1A3SLC1A2SLC1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5712287-A | WITH 1,2,5-THIADIAZOLE OR 1,2,5-OXADIAZOLE AZABICYCLIC DERIVATIVES | MUHLHAUSER MARK A (US) | 1998-01-27 | — | — | US | disclosed |
| US-5712271-A | OXADIAZOLE OR THIADIAZOLE COMPOUNDS SUBSTITUTED WITH AZABICYCLO(3.3.1)NONANE RING | MUHLHAUSER MARK A (US) | 1998-01-27 | — | — | US | disclosed |
| US-5710151-A | ADMINISTERING A THIADIAZOLE OR AN OXADIAZOLE DERIVATIVE TO A SUBJECT | MUHLHAUSER MARK A (US) | 1998-01-20 | — | — | US | disclosed |
| US-5679686-A | TREATING SCHIZOPHRENIA BY ADMINISTERING THIADIAZOLE OR OXADIAZOLE DERIVATIVES | NOVO NORDISK A/S (DK) | 1997-10-21 | — | — | US | disclosed |
| US-5677313-A | ADMINISTERING 1,2,5-THIADIAZOLYL-AZABICYCLONONENE DERIVATIVES | NOVO NORDISK A/S (DK) | 1997-10-14 | — | — | US | disclosed |