Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.50 |
| ▸ | RAB9A | P51151 | 7/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.50 |
| ▸ | HPGD | P15428 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | CASP1 | P29466 | 4/20 | 0.50 |
| ▸ | CASP7 | P55210 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.50 |
| ▸ | MAPK10 | P53779 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 3/20 | 0.50 |
| ▸ | NOS1 | P29475 | 1/20 | 0.48 |
| ▸ | TDO2 | P48775 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL31232962 | 0.78 | KDM4E (0.47) | NPC1RAB9AKDM4EHPGDALDH1A1 | |
| SCHEMBL8836341 | 0.78 | POLB (0.51) | NPC1RAB9AKDM4EHPGDALDH1A1 | |
| SCHEMBL8835838 | 0.73 | NPC1 (0.46) | NPC1RAB9AALDH1A1SMN1; SMN2CASP1 | |
| SCHEMBL8835557 | 0.73 | NOS1 (0.46) | NPC1RAB9AKDM4EHPGDALDH1A1 | |
| SCHEMBL20730409 | 0.71 | PDK2 (0.55) | NPC1RAB9AKDM4EHPGDALDH1A1 | |
| SCHEMBL8836333 | 0.70 | MAPK1 (0.51) | NPC1RAB9AKDM4EHPGDALDH1A1 | |
| SCHEMBL29669831 | 0.69 | ALDH1A1 (0.50) | NPC1RAB9AKDM4EHPGDALDH1A1 | |
| SCHEMBL8836358 | 0.68 | NR1I2 (0.53) | CYP1A2CYP2C9 | |
| SCHEMBL31232967 | 0.68 | TDO2 (0.60) | NPC1RAB9AKDM4EHPGDALDH1A1 | |
| SCHEMBL708998 | 0.67 | NPC1 (1.00) | NPC1RAB9AKDM4EHPGDALDH1A1 |
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-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 | claimed |
| 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 |