Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 5/20 | 0.46 |
| ▸ | RAB9A | P51151 | 5/20 | 0.46 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 3/20 | 0.38 |
| ▸ | CTSD | P07339 | 1/20 | 0.38 |
| ▸ | IDH2 | P48735 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CRHBP | P24387 | 1/20 | 0.37 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.36 |
| ▸ | POLQ | O75417 | 1/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 3/20 | 0.36 |
| ▸ | FEN1 | P39748 | 3/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.36 |
| ▸ | PDE6D | O43924 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8430167 | 0.78 | KDM1A (0.55) | KDM1ANPC1RAB9ADHODHPIM1 | |
| SCHEMBL15990506 | 0.75 | KDM1A (0.49) | KDM1ANPC1RAB9ADHODHPIM1 | |
| SCHEMBL2403919 | 0.74 | KDM1A (0.50) | KDM1ANPC1RAB9ADHODHPIM1 | |
| SCHEMBL2403768 | 0.73 | KDM1A (0.53) | KDM1ANPC1RAB9ADHODHPIM1 | |
| SCHEMBL27322683 | 0.71 | CCR1 (0.63) | KDM1ANPC1RAB9ADHODHPIM1 | |
| SCHEMBL8428280 | 0.69 | KDM1A (0.49) | KDM1ANPC1RAB9ADHODHPIM1 | |
| SCHEMBL20341731 | 0.69 | KDM1A (0.52) | KDM1ANPC1RAB9ADHODHPIM1 | |
| SCHEMBL15990505 | 0.69 | KDM1A (0.55) | KDM1ANPC1RAB9ADHODHPIM1 | |
| SCHEMBL21835703 | 0.69 | CYP1A2 (0.51) | ALOX5APFEN1 | |
| SCHEMBL7696178 | 0.69 | KDM1A (1.00) | KDM1A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5910590-A | INTERACTS WITH GABA BINDING SITE (THE BENZODIAZEPINE RECEPTOR); TREATMENT OF ANXIETY, SEIZURE AND SLEEP DISORDERS, ENHANCES ALERTNESS AND TREATMENT OF BENZODIAZEPINE OVERDOSES | NEUROGEN CORPORATION (US) | 1999-06-08 | — | — | US | disclosed |
| US-5668283-A | Certain aryl substituted pyrrolopyrazines; a new class of GABA brain receptor ligands | NEUROGEN CORPORATION (US) | 1997-09-16 | — | — | US | disclosed |
| US-5606059-A | USEFUL IN THE DIAGNOSIS AND TREATMENT OF ANXIETY, SLEEP AND SEIZURE DISORDERS, OVERDOSE WITH BENZODIAZEPINE TYPE DRUGS AND THE ENHANCEMENT OF ALERTNESS | NEUROGEN CORPORATION (US) | 1997-02-25 | — | — | US | disclosed |
| WO-1994011374-A1 | CERTAIN ARYL SUBSTITUTED PYRROLOPYRAZINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 1994-05-26 | — | — | WO | disclosed |
| US-5286860-A | Certain aryl substituted pyrrolopyrazines; a new class of GABA brain receptor ligands | NEUROGEN CORPORATION (US) | 1994-02-15 | — | — | US | disclosed |