Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4267168 | 0.76 | — | — | |
| SCHEMBL9104581 | 0.75 | CHRM1 (0.40) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL4008043 | 0.75 | CHRM1 (0.40) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL26827039 | 0.73 | — | — | |
| SCHEMBL21654408 | 0.73 | — | — | |
| SCHEMBL25078569 | 0.73 | — | — | |
| SCHEMBL5206524 | 0.73 | — | — | |
| SCHEMBL276380 | 0.73 | — | — | |
| SCHEMBL2002867 | 0.71 | — | — | |
| SCHEMBL7353715 | 0.71 | CA2 (0.50) | CHRM1AKR1A1CHRM3HTR2AHTR2C |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0828488-B1 | ISOTHIAZOLONES | WARNER LAMBERT CO (US) | 2003-02-12 | — | — | EP | disclosed |
| US-6133270-A | Isothiazolones and pharmaceutical formulations | WARNER-LAMBERT COMPANY (US) | 2000-10-17 | — | — | US | disclosed |
| US-6001863-A | USEFUL AS ANTIVIRAL, ANTIINFLAMMATORY AND ANTIATHEROSCLEROSIS AGENT; ADMINISTERING TO THE PATIENT IN NEED OF ZINC EJECTION FROM NUCLEOCAPSID PROTEIN | WARNER-LAMBERT COMPANY (US) | 1999-12-14 | — | — | US | disclosed |
| US-5889034-A | ANTIINFLAMMATORY AGENT; ANTIATHEROSCLEROSIS AGENT; VIRICIDES | WARNER-LAMBERT COMPANY (US) | 1999-03-30 | — | — | US | disclosed |
| US-5733921-A | ANTIRETROVIRAL AGENTS; ANTIINFLAMMATORY AGENTS; ANTIATHEROSCLEROSIS | WARNER-LAMBERT COMPANY (US) | 1998-03-31 | — | — | US | disclosed |
| EP-0828488-A1 | ISOTHIAZOLONES | WARNER-LAMBERT COMPANY (US) | 1998-03-18 | — | — | EP | disclosed |
| US-5620997-A | VIRICIDES, ANTIINFLAMMATORY AGENTS, ANTIATHEROSCLEROTIC AGENT | WARNER-LAMBERT COMPANY (US) | 1997-04-15 | — | — | US | disclosed |
| WO-1996038144-A1 | ISOTHIAZOLONES | WARNER-LAMBERT COMPANY (US) | 1996-12-05 | — | — | WO | disclosed |