Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.42 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | GRK6 | P43250 | 1/20 | 0.39 |
| ▸ | PTGES | O14684 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.36 |
| ▸ | POLQ | O75417 | 1/20 | 0.36 |
| ▸ | STIM1 | Q13586 | 1/20 | 0.36 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.36 |
| ▸ | METAP2 | P50579 | 1/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.36 |
| ▸ | PDE6D | O43924 | 1/20 | 0.36 |
| ▸ | PDE6A | P16499 | 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 | |
|---|---|---|---|---|
| SCHEMBL7277812 | 0.76 | NPC1 (0.53) | NPC1RAB9APDGFRBALDH1A1DYRK1A | |
| SCHEMBL8430167 | 0.72 | KDM1A (0.55) | KDM1ANPC1RAB9ADHODHPIM1 | |
| SCHEMBL27322683 | 0.71 | CCR1 (0.63) | KDM1ANPC1RAB9ADHODHPIM1 | |
| SCHEMBL2403919 | 0.71 | KDM1A (0.50) | KDM1ANPC1RAB9ADHODHPIM1 | |
| SCHEMBL2403768 | 0.70 | KDM1A (0.53) | KDM1ANPC1RAB9ADHODHPIM1 | |
| SCHEMBL20341731 | 0.69 | KDM1A (0.52) | KDM1ANPC1RAB9ADHODHPIM1 | |
| SCHEMBL15990505 | 0.69 | KDM1A (0.55) | KDM1ANPC1RAB9ADHODHPIM1 | |
| SCHEMBL15990506 | 0.69 | KDM1A (0.49) | KDM1ANPC1RAB9ADHODHPIM1 | |
| SCHEMBL8430229 | 0.69 | KDM1A (0.52) | KDM1ANPC1RAB9ADHODHPIM1 | |
| SCHEMBL20924207 | 0.69 | KDM1A (0.71) | KDM1ANPC1RAB9ADHODHPIM1 |
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 |