Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.48 |
| ▸ | LMNA | P02545 | 7/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 6/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.46 |
| ▸ | USP2 | O75604 | 5/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5202901 | 0.82 | COMT (0.58) | COMTCYP3A4LMNACYP2C19MAPT | |
| SCHEMBL1536286 | 0.77 | CYP3A4 (0.47) | CYP3A4CYP1A2LMNACYP2D6CYP2C19 | |
| SCHEMBL11814264 | 0.76 | CYP3A4 (0.52) | CYP3A4CYP1A2LMNACYP2D6CYP2C19 | |
| SCHEMBL11814515 | 0.76 | CYP3A4 (0.52) | CYP3A4CYP1A2LMNACYP2D6CYP2C19 | |
| SCHEMBL14211961 | 0.75 | CYP3A4 (0.50) | CYP3A4CYP1A2LMNACYP2D6CYP2C19 | |
| SCHEMBL508849 | 0.75 | IDO1 (0.58) | CYP3A4CYP1A2LMNACYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL28957349 | 0.74 | IDO1 (0.56) | CYP3A4CYP1A2LMNACYP2D6CYP2C19 | |
| SCHEMBL11809887 | 0.73 | CYP3A4 (0.50) | CYP3A4CYP1A2LMNACYP2D6CYP2C19 | |
| SCHEMBL11820505 | 0.73 | CYP3A4 (0.53) | CYP3A4CYP1A2LMNACYP2D6CYP2C19 | |
| SCHEMBL11827141 | 0.72 | CYP3A4 (0.52) | CYP3A4CYP1A2LMNACYP2D6CYP2C19 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3961062-A | Pharmaceutical composition containing 1-(imidazole-1-yl)-isoquinolines and method of treating hyperlipemia | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-06-01 | — | — | US | claimed |
| CN-107858742-A | Bathed and assessed using the TSV of field and Characteristic Contrast | 朗姆研究公司 | 2018-03-30 | — | — | CN | disclosed |
| CN-104233451-B | TSV bath evaluation using field to feature comparisons | 朗姆研究公司 | 2017-11-24 | — | — | CN | disclosed |
| CN-102170787-B | Compounds, compositions and methods for the treatment of beta-amyloid diseases and synucleinopathies | PROTEOTECH INC | 2014-11-12 | — | — | CN | disclosed |
| CN-102170787-A | Compounds, compositions and methods for the treatment of beta-amyloid diseases and synucleinopathies | PROTEOTECH INC | 2011-08-31 | — | — | CN | disclosed |
| US-6465486-B1 | ALPHA2 ADRENOCEPTOR MODULATORS; HYPERTENSION, GLAUCOMA, SEXUAL DYSFUNCTION, DEPRESSION, ATTENTION DEFICIT HYPERACTIVITY DISORDER, PARKINSONISM, NEED FOR ANESTHESIA, CARDIAC ARRYTHMIA | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2002-10-15 | — | — | US | disclosed |
| US-3961062-A | Pharmaceutical composition containing 1-(imidazole-1-yl)-isoquinolines and method of treating hyperlipemia | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-06-01 | — | — | US | disclosed |
| US-3961062-A | Pharmaceutical composition containing 1-(imidazole-1-yl)-isoquinolines and method of treating hyperlipemia | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-06-01 | — | — | US | disclosed |
| US-3961062-A | Pharmaceutical composition containing 1-(imidazole-1-yl)-isoquinolines and method of treating hyperlipemia | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-06-01 | — | — | US | disclosed |
| US-3914236-A | 1-(Imidazole-1-yl)-isoquinolines and process for preparing them | HOECHST AG | 1975-10-21 | — | — | US | disclosed |
| US-3914236-A | 1-(Imidazole-1-yl)-isoquinolines and process for preparing them | HOECHST AG | 1975-10-21 | — | — | US | disclosed |