Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.58 |
| ▸ | MAPT | P10636 | 5/20 | 0.58 |
| ▸ | RAB9A | P51151 | 5/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.56 |
| ▸ | PKM | P14618 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9540820 | 0.80 | ADORA2A (0.58) | NPC1KDM4ERAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL2818740 | 0.80 | ADORA2A (0.58) | NPC1KDM4EMAPTRAB9AALDH1A1 | |
| SCHEMBL2818120 | 0.78 | ADORA2A (0.69) | NPC1KDM4EMAPTRAB9AALDH1A1 | |
| SCHEMBL2817811 | 0.78 | ADORA2A (0.64) | NPC1KDM4EMAPTRAB9AALDH1A1 | |
| SCHEMBL9539655 | 0.78 | IDO1 (0.43) | NPC1KDM4EMAPTRAB9AALDH1A1 | |
| SCHEMBL2816603 | 0.76 | KDM4E (0.53) | NPC1KDM4EMAPTRAB9AALDH1A1 | |
| SCHEMBL31307039 | 0.73 | NPC1 (0.52) | NPC1KDM4EMAPTRAB9AALDH1A1 | |
| SCHEMBL2816945 | 0.73 | FYN (0.50) | RAB9ASMN1; SMN2ADORA2ANFKB1NFKB2 | |
| SCHEMBL9539492 | 0.73 | FGFR1 (0.46) | NPC1KDM4EMAPTRAB9AALDH1A1 | |
| SCHEMBL9542204 | 0.73 | BCHE (0.49) | KDM4EMAPTALDH1A1ADORA2AHPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1993004066-A1 | CERTAIN IMIDAZOQUINOXALINOLS; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 1993-03-04 | — | — | WO | claimed |