Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | FBP1 | P09467 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | GABRP | O00591 | 1/20 | 0.39 |
| ▸ | GABRD | O14764 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 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 | |
|---|---|---|---|---|
| SCHEMBL10487749 | 0.90 | ALDH1A1 (0.39) | TP53HTTFBP1ALDH1A1TDP1 | |
| SCHEMBL4447040 | 0.89 | TP53 (0.38) | TP53HTTFBP1ALDH1A1TDP1 | |
| SCHEMBL4876434 | 0.89 | HTT (0.38) | TP53HTTFBP1ALDH1A1TDP1 | |
| SCHEMBL1538857 | 0.89 | ALDH1A1 (0.51) | TP53HTTFBP1ALDH1A1TDP1 | |
| SCHEMBL10606796 | 0.89 | TP53 (0.38) | TP53HTTFBP1ALDH1A1TDP1 | |
| SCHEMBL8977186 | 0.89 | GRIN2D (0.40) | TP53HTTFBP1ALDH1A1TDP1 | |
| SCHEMBL28910119 | 0.88 | TSHR (0.46) | TP53HTTFBP1ALDH1A1TDP1 | |
| SCHEMBL10951675 | 0.87 | DTYMK (0.39) | TP53HTTFBP1ALDH1A1TDP1 | |
| SCHEMBL3127548 | 0.86 | TP53 (0.37) | TP53HTTFBP1ALDH1A1TDP1 | |
| SCHEMBL7593462 | 0.83 | KMT2A (0.50) | HTTALDH1A1MAPTHPGDSMN1; SMN2 |
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-6268496-B1 | GAMMA-AMINOBUTYRIC ACID RECEPTOR LIGANDS | NEUROGEN CORPORATION | 2001-07-31 | — | — | US | disclosed |
| EP-0555391-B1 | CERTAIN IMIDAZOQUINOXALINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORP (US) | 2000-07-12 | — | — | EP | disclosed |
| US-5744602-A | PSYCHOLOGICAL DISORDERS, ANTICONVULSANTS | NEUROGEN CORPORATION (US) | 1998-04-28 | — | — | US | disclosed |
| EP-0555391-A1 | CERTAIN IMIDAZOQUINOXALINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 1993-08-18 | — | — | EP | disclosed |
| US-5130430-A | Anxiety, sleep disorders or seizures | NEUROGEN CORPORATION (US) | 1992-07-14 | — | — | US | disclosed |
| WO-1992007853-A1 | CERTAIN IMIDAZOQUINOXALINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 1992-05-14 | — | — | WO | disclosed |