Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.36 |
| ▸ | TSHR | P16473 | 5/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.33 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA3 | P07451 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3672177 | 0.82 | CD44 (0.50) | CD44GAAALDH1A1MAPTCYP3A4 | |
| SCHEMBL23205869 | 0.82 | CD44 (0.50) | CD44GAAALDH1A1MAPTCYP3A4 | |
| SCHEMBL11562840 | 0.82 | ALDH1A1 (0.45) | CD44GAAALDH1A1MAPTCYP3A4 | |
| SCHEMBL11795237 | 0.80 | ALDH1A1 (0.59) | CD44GAAALDH1A1MAPTCYP3A4 | |
| SCHEMBL11055289 | 0.80 | CD44 (0.48) | CD44GAAALDH1A1MAPTCYP3A4 | |
| SCHEMBL6352273 | 0.80 | ALDH1A1 (0.48) | CD44GAAALDH1A1MAPTCYP3A4 | |
| SCHEMBL9251854 | 0.77 | CD44 (0.50) | CD44GAAALDH1A1MAPTCYP3A4 | |
| SCHEMBL7210094 | 0.76 | GAA (0.53) | CD44GAAALDH1A1CYP3A4TSHR | |
| SCHEMBL8321419 | 0.76 | GAA (0.53) | CD44GAAALDH1A1CYP3A4TSHR | |
| SCHEMBL10976016 | 0.75 | CD44 (0.48) | CD44GAAALDH1A1MAPTCYP3A4 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0783495-B1 | QUINOXALINE DERIVATIVES USEFUL IN THERAPY | PFIZER LTD (GB) | 2002-02-27 | — | — | EP | disclosed |
| EP-0781279-B1 | QUINOXALINEDIONE NMDA RECEPTOR ANTAGONISTS | PFIZER LTD (GB) | 2001-06-13 | — | — | EP | disclosed |
| US-5852016-A | Quinoxaline derivatives useful in therapy | PFIZER INC. (US) | 1998-12-22 | — | — | US | disclosed |
| US-5783572-A | TREATMENT OF NEURODEGENERATIVE DISORDERS | PFIZER INC. (US) | 1998-07-21 | — | — | US | disclosed |
| EP-0783495-A1 | QUINOXALINE DERIVATIVES USEFUL IN THERAPY | Pfizer Limited (GB) | 1997-07-16 | — | — | EP | disclosed |
| EP-0781279-A1 | QUINOXALINEDIONE NMDA RECEPTOR ANTAGONISTS | Pfizer Limited (GB) | 1997-07-02 | — | — | EP | disclosed |
| WO-1996009295-A1 | QUINOXALINE DERIVATIVES USEFUL IN THERAPY | PFIZER LIMITED (GB) | 1996-03-28 | — | — | WO | disclosed |
| WO-1996008485-A1 | QUINOXALINEDIONE NMDA RECEPTOR ANTAGONISTS | PFIZER LIMITED (GB) | 1996-03-21 | — | — | WO | disclosed |