Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.65 |
| ▸ | POLB | P06746 | 4/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 4/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.52 |
| ▸ | RAB9A | P51151 | 4/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | APEX1 | P27695 | 1/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL11110984 | 0.89 | CYP1A2 (0.55) | CYP1A2CYP2C9CYP2C19POLBKMT2A | |
| SCHEMBL2938583 | 0.83 | MEN1 (0.69) | CYP1A2CYP2C9CYP2C19POLBMEN1 | |
| SCHEMBL27848785 | 0.82 | PDE4D (0.75) | CYP2C9CYP2C19MEN1KMT2AHPGD | |
| SCHEMBL8090996 | 0.81 | CYP1A2 (0.67) | CYP1A2CYP2C9CYP2C19POLBMEN1 | |
| SCHEMBL5067031 | 0.80 | HPGD (0.73) | CYP1A2CYP2C9CYP2C19POLBMEN1 | |
| SCHEMBL6681735 | 0.80 | HPGD (0.69) | CYP1A2CYP2C9CYP2C19POLBMEN1 | |
| SCHEMBL14132434 | 0.79 | CYP2C9 (1.00) | CYP1A2CYP2C9CYP2C19POLBMEN1 | |
| SCHEMBL11476853 | 0.78 | CYP1A2 (0.61) | CYP1A2CYP2C9CYP2C19POLBMEN1 | |
| SCHEMBL10513918 | 0.77 | KDM4E (0.45) | CYP1A2CYP2C9CYP2C19POLBMEN1 | |
| SCHEMBL20427928 | 0.76 | CYP1A2 (0.60) | CYP1A2CYP2C9CYP2C19POLBMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| 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-5668162-A | Isothiazolones lower plasma levels of lipoprotein(a) | WARNER-LAMBERT COMPANY | 1997-09-16 | — | — | US | 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 |