Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H3 | Q13133 | 3/20 | 0.46 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.44 |
| ▸ | PTK6 | Q13882 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | MGLL | Q99685 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CCKBR | P32239 | 1/20 | 0.41 |
| ▸ | CDC25B | P30305 | 1/20 | 0.40 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7413449 | 0.85 | ADORA3 (0.56) | NR1H3ADORA3ADORA1MGLLMAPT | |
| SCHEMBL7410394 | 0.73 | ADORA3 (0.54) | NR1H3ADORA3ADORA1MAPTMEN1 | |
| SCHEMBL7415160 | 0.70 | ADORA3 (0.54) | ADORA3ADORA1MGLLMAPTTP53 | |
| SCHEMBL14796348 | 0.70 | KDM4E (0.45) | MAPTMEN1KMT2ACCNB2CDK1 | |
| SCHEMBL31253416 | 0.69 | SMN1; SMN2 (0.56) | ERBB2PTK6MAPTMEN1KMT2A | |
| SCHEMBL26566752 | 0.69 | SMN1; SMN2 (0.56) | ERBB2PTK6MAPTMEN1KMT2A | |
| SCHEMBL6824577 | 0.68 | ALDH1A1 (0.47) | MAPTMEN1KMT2ACCNB2CDK1 | |
| SCHEMBL24095578 | 0.68 | MEN1 (0.59) | MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL7418663 | 0.68 | ADORA3 (0.54) | ADORA3MGLLMAPTTP53MEN1 | |
| SCHEMBL6976263 | 0.68 | ALDH1A1 (0.78) | MAPTMEN1KMT2ACCNB2CDK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1994026741-A1 | CERTAIN PYRROLOQUINOLINONES; A NEW CLASS OF GABE BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 1994-11-24 | — | — | WO | claimed |
| US-5243049-A | Gamma-aminobutyric acid antagonist | NEUROGEN CORPORATION (US) | 1993-09-07 | — | — | US | claimed |
| US-5908932-A | Certain pyrroloquinolinones; a new class of GABA brain receptor | NEUROGEN CORPORATION (US) | 1999-06-01 | — | — | US | disclosed |
| US-5604235-A | DIAGNOSIS AND TREATMENT OF ANXIETY, SLEEP AND SEIZURE DISORDERS, BENZODIAZEPINE OVERDOSE; ENHANCEMENT OF MEMORY | NEUROGEN CORPORATION (US) | 1997-02-18 | — | — | US | disclosed |
| US-5243049-A | Gamma-aminobutyric acid antagonist | NEUROGEN CORPORATION (US) | 1993-09-07 | — | — | US | disclosed |