Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.55 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.55 |
| ▸ | GSK3B | P49841 | 1/20 | 0.54 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ATP4A | P20648 | 2/20 | 0.45 |
| ▸ | ATP4B | P51164 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11895098 | 0.76 | GSK3B (0.62) | AURKAAURKBGSK3BAOC3RAB9A | |
| SCHEMBL27109712 | 0.75 | AURKA (0.54) | AURKAAURKBGSK3BAOC3RAB9A | |
| SCHEMBL4248803 | 0.73 | GSK3B (0.55) | AURKAAURKBGSK3BAOC3RAB9A | |
| SCHEMBL22940435 | 0.72 | AURKA (0.59) | AURKAAURKBGSK3BRAB9ANPC1 | |
| SCHEMBL23641151 | 0.72 | GSK3B (0.62) | AURKAAURKBGSK3BAOC3RAB9A | |
| SCHEMBL1807649 | 0.71 | ATP4A (0.65) | AURKAAURKBGSK3BAOC3RAB9A | |
| SCHEMBL29631691 | 0.71 | RAB9A (0.74) | AURKAAURKBGSK3BAOC3RAB9A | |
| SCHEMBL374022 | 0.71 | RAB9A (0.74) | AURKAAURKBGSK3BAOC3RAB9A | |
| SCHEMBL8265150 | 0.71 | ADORA2A (0.66) | RAB9ANPC1KDM4EMAPTMEN1 | |
| SCHEMBL693581 | 0.70 | GSK3B (0.59) | AURKAAURKBGSK3BRAB9ANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0422178-A1 | PYRIMIDINE DERIVATIVES. | ICI PLC (GB) | 1991-04-17 | — | — | EP | disclosed |
| WO-1990012790-A1 | PYRIMIDINE DERIVATIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-11-01 | — | — | WO | disclosed |