Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | FLT3 | P36888 | 1/20 | 0.35 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.35 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30047914 | 0.88 | PDK1 (0.42) | PDK1MAPTRAB9ACYP2C19SMN1; SMN2 | |
| SCHEMBL23857472 | 0.88 | PDK1 (0.42) | PDK1MAPTRAB9ACYP2C19SMN1; SMN2 | |
| SCHEMBL8100992 | 0.87 | PDK1 (0.52) | PDK1MAPTLIMK1RAB9ATP53 | |
| SCHEMBL30253441 | 0.79 | PDK1 (0.37) | PDK1MAPTRAB9ACYP2C19SMN1; SMN2 | |
| SCHEMBL15883667 | 0.77 | PDK1 (0.50) | PDK1MAPTLIMK1SMN1; SMN2KMT2A | |
| SCHEMBL27366669 | 0.73 | PDK1 (0.50) | PDK1MAPTLIMK1RAB9ACYP2C19 | |
| SCHEMBL23856851 | 0.72 | MAPT (0.42) | PDK1MAPTCYP2C19SMN1; SMN2KMT2A | |
| SCHEMBL30047537 | 0.72 | MAPT (0.42) | PDK1MAPTCYP2C19SMN1; SMN2KMT2A | |
| SCHEMBL17711730 | 0.70 | PDK1 (0.53) | PDK1MAPTLIMK1SMN1; SMN2KMT2A | |
| SCHEMBL23856999 | 0.70 | KDM4E (0.39) | PDK1MAPTCYP2C19SMN1; SMN2KMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6013799-A | HIGHLY SELECTIVE AGONISTS, ANTAGONISTS OR INVERSE AGONISTS FOR G-AMINOBUTYRIC ACID (GABA) BRAIN RECEPTORS; USEFUL IN DIAGNOSIS/TREATMENT OF ANXIETY, SLEEP, AND SEIZURE DISORDERS, DRUG OVERDOSE, AND ALERTNESS ENHANCEMENT ALERTNESS | NEUROGEN CORPORATION (US) | 2000-01-11 | — | — | US | disclosed |
| US-5696260-A | AGONSIT, ANTAGONIST, PRODRUG; USEFUL IN DIAGNOSIS AND TREATMENT OF ANXIETY, SLEEP, SEIZURE DISORDER, OVERDOSE WITH BENZODIAZEPINE TYPE DRUGS AND ENHANCEMENT OF ALERTNESS | NEUROGEN CORPORATION (US) | 1997-12-09 | — | — | US | disclosed |
| US-5426186-A | Diagnosis, treatment of anxiety, sleep and seizure disorders, benzodiazepine overdose; enhancement of alertness | NEUROGEN CORPORATION (US) | 1995-06-20 | — | — | US | disclosed |
| EP-0547168-A1 | CERTAIN CYCLOALKYL IMIDAZOPYRIMIDINES, A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 1993-06-23 | — | — | EP | disclosed |
| US-5185446-A | Treating anxiety, sleep, seizure disorders | NEUROGEN CORPORATION (US) | 1993-02-09 | — | — | US | disclosed |
| WO-1992004351-A1 | CERTAIN CYCLOALKYL IMIDAZOPYRIMIDINES, A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 1992-03-19 | — | — | WO | disclosed |