Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | SMO | Q99835 | 2/20 | 0.44 |
| ▸ | COMT | P21964 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.40 |
| ▸ | MEN1 | O00255 | 5/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HPGDS | O60760 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL696116 | 0.85 | XDH (0.50) | HDAC6SMOCOMTKMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL7968706 | 0.84 | XDH (0.49) | HDAC6SMOCOMTKMT2AMEN1 | |
| SCHEMBL2543831 | 0.82 | HDAC6 (0.50) | HDAC6SMOCOMTKMT2AMEN1 | |
| SCHEMBL29383595 | 0.82 | HDAC6 (0.50) | HDAC6SMOCOMTKMT2AMEN1 | |
| SCHEMBL21294995 | 0.80 | POLB (0.60) | HDAC6SMOKMT2AMEN1LMNA | |
| SCHEMBL14741986 | 0.78 | MAPT (0.48) | HDAC6KMT2ALMNAMAPTHPGD | |
| SCHEMBL27846472 | 0.78 | CYP1A2 (0.47) | KMT2AMEN1LMNANPC1RAB9A | |
| Ammonia Solution, Strong SCHEMBL28126176 | 0.77 | MAPT (0.47) | HDAC6KMT2ALMNAMAPTHPGD | |
| SCHEMBL27727106 | 0.76 | HDAC6 (0.45) | HDAC6SMOCOMTKMT2AMEN1 | |
| SCHEMBL27717163 | 0.75 | KMO (0.53) | XDHMAPTKDM4E |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6281359-B1 | PSYCHOLOGICAL DISORDERS | NEUROGEN CORPORATION | 2001-08-28 | — | — | US | disclosed |
| US-6221871-B1 | TREATING SCHIZOPHRENIA, DEPRESSION OR PARKINSON'S DISEASE | NEUROGEN CORPORATION | 2001-04-24 | — | — | US | disclosed |
| US-5912350-A | Certain aminomethyl biphenyl, aminomethyl phenyl pyridine and aminomethyl phenyl pyrimidine derivatives; novel dopamine receptor subtype selective ligands | NEUROGEN CORPORATION (US) | 1999-06-15 | — | — | US | disclosed |
| US-5677454-A | DIAGNOSIS, THERAPY OF SCHIZOPHRENIA, DEPRESSION, PARKINSONISM | NEUROGEN CORPORATION (US) | 1997-10-14 | — | — | US | disclosed |
| EP-0793662-A1 | AMINOMETHYL ARYL COMPOUNDS; DOPAMINE RECEPTOR SUBTYPE SELECTIVE LIGANDS | NEUROGEN CORPORATION (US) | 1997-09-10 | — | — | EP | disclosed |
| US-5594141-A | ANTIPSYCHOTIC AND ANTIDEPRESSANT AGENTS; PARKINSON'S DISEASE | NEUROGEN CORPORATION (US) | 1997-01-14 | — | — | US | disclosed |
| WO-1996016058-A1 | AMINOMETHYL ARYL COMPOUNDS; DOPAMINE RECEPTOR SUBTYPE SELECTIVE LIGANDS | NEUROGEN CORPORATION (US) | 1996-05-30 | — | — | WO | disclosed |