Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 6/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7777487 | 0.90 | TSHR (0.32) | GAATSHRALDH1A1RECQLRAB9A | |
| SCHEMBL7778620 | 0.89 | RAB9A (0.34) | TSHRALDH1A1RAB9ACNR1CNR2 | |
| SCHEMBL7778618 | 0.86 | RAB9A (0.33) | ALDH1A1RAB9A | |
| SCHEMBL15760608 | 0.84 | GAA (0.34) | GAATSHRALDH1A1RECQLCNR1 | |
| SCHEMBL15760615 | 0.83 | EPHX2 (0.35) | GAATSHRALDH1A1RECQLCNR1 | |
| SCHEMBL7777350 | 0.82 | NAAA (0.37) | GAATSHRALDH1A1RECQLRAB9A | |
| SCHEMBL7778648 | 0.76 | CYP1A2 (0.35) | GAATSHRALDH1A1RECQL | |
| SCHEMBL7776075 | 0.76 | DNM1 (0.46) | TSHRALDH1A1RECQL | |
| SCHEMBL13202556 | 0.76 | ACHE (0.45) | TSHRALDH1A1RECQLFAAHACHE | |
| SCHEMBL22844277 | 0.76 | CYP2C19 (0.39) | TSHRALDH1A1RECQLFAAHSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0733045-B1 | 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS | ASTRAZENECA AB (SE) | 2001-08-16 | — | — | EP | disclosed |