Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.57 |
| ▸ | HTR2C | P28335 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | MC4R | P32245 | 1/20 | 0.52 |
| ▸ | MC5R | P33032 | 1/20 | 0.52 |
| ▸ | SORD | Q00796 | 1/20 | 0.51 |
| ▸ | CHKA | P35790 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.50 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.50 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8110649 | 0.99 | KMT2A (0.56) | KMT2AHRH4HTR2CPKMMC4R | |
| SCHEMBL6232120 | 0.87 | HRH4 (0.62) | HRH4HTR2CSORDHTR1AACHE | |
| SCHEMBL8118469 | 0.86 | HRH4 (0.53) | KMT2AHRH4HTR2CSORDHTR1A | |
| SCHEMBL8134359 | 0.86 | MEN1 (0.58) | KMT2AHRH4HTR2CSORDHTR1A | |
| SCHEMBL8486348 | 0.85 | HRH4 (0.60) | KMT2AHRH4HTR2CSORDHTR1A | |
| SCHEMBL3684916 | 0.85 | KDM4E (0.59) | KMT2AHRH4HTR2CSORDHTR1A | |
| SCHEMBL8130723 | 0.84 | SIGMAR1 (0.58) | KMT2AHRH4HTR2CSORDACHE | |
| SCHEMBL8130421 | 0.84 | HRH4 (0.56) | KMT2AHRH4HTR2CSORDHTR1A | |
| SCHEMBL11815804 | 0.81 | KMT2A (0.56) | KMT2AHTR2CPKMMC4RMC5R | |
| Oxalic Acid SCHEMBL8133977 | 0.81 | HRH4 (0.47) | KMT2AHRH4HTR2CSORDHTR1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0970054-A1 | 1-(ISOQUINOLIN-1-YL)-4-(1-PHENYLMETHYL)PIPERAZINES; DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORPORATION (US) | 2000-01-12 | — | — | EP | claimed |
| US-6008352-A | USEFUL IN TREATING PSYCHOTIC DISORDERS SUCH AS SCHIZOPHRENIA AND OTHER CENTRAL NERVOUS SYSTEM DISEASES | NEUROGEN CORPORATION (US) | 1999-12-28 | — | — | US | claimed |
| WO-1998039301-A1 | 1-(ISOQUINOLIN-1-YL)-4-(1-PHENYLMETHYL)PIPERAZINES; DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORPORATION (US) | 1998-09-11 | — | — | WO | claimed |