Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 6/20 | 0.62 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.53 |
| ▸ | ABCC1 | P33527 | 3/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | SYK | P43405 | 1/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL17720570 | 0.84 | KDM4E (0.57) | ABCG2ABCB1ABCC1ADORA3RAB9A | |
| SCHEMBL12963169 | 0.83 | NPC1 (0.59) | ABCG2ABCB1ABCC1ADORA3RAB9A | |
| SCHEMBL2177144 | 0.83 | DYRK1A (0.50) | ABCG2ADORA3ALDH1A1KDM4ESYK | |
| SCHEMBL13823658 | 0.80 | NPC1 (0.51) | ABCG2ABCB1ABCC1RAB9AALDH1A1 | |
| SCHEMBL387105 | 0.80 | SMN1; SMN2 (0.73) | ABCG2ABCB1ABCC1RAB9AALDH1A1 | |
| SCHEMBL9013534 | 0.80 | ABCG2 (0.70) | ABCG2ABCB1ABCC1RAB9ANPC1 | |
| SCHEMBL390423 | 0.79 | ABCG2 (0.74) | ABCG2ABCB1ABCC1RAB9AALDH1A1 | |
| SCHEMBL11516034 | 0.78 | ABCG2 (0.58) | ABCG2ABCB1ABCC1RAB9AALDH1A1 | |
| SCHEMBL5486371 | 0.78 | ABCG2 (0.78) | ABCG2ABCB1ABCC1RAB9ANPC1 | |
| SCHEMBL9013541 | 0.77 | ABCG2 (0.54) | ABCG2ADORA3RAB9AALDH1A1NPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5589477-A | LEARNING ENHANCEMENT, CNS | NIPPON SHINYAKU COMPANY, LIMITED (JP) | 1996-12-31 | — | — | US | disclosed |
| EP-0555478-A1 | PYRIMIDINE DERIVATIVE AND MEDICINE | NIPPON SHINYAKU COMPANY, LIMITED (JP) | 1993-08-18 | — | — | EP | disclosed |