Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.35 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.35 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.35 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3823148 | 0.88 | TSHR (0.44) | HPGDALDH1A1TSHRCYP3A4RECQL | |
| SCHEMBL1025994 | 0.76 | KMT2A (0.44) | HPGDALDH1A1TSHRCYP3A4RECQL | |
| SCHEMBL6999879 | 0.74 | SMN1; SMN2 (0.44) | ALDH1A1CYP3A4NPC1RAB9AMAPT | |
| SCHEMBL7000490 | 0.74 | SMN1; SMN2 (0.44) | ALDH1A1CYP3A4NPC1RAB9AMAPT | |
| SCHEMBL34474101 | 0.73 | ALDH1A1 (0.43) | HPGDALDH1A1TSHRCYP3A4RECQL | |
| SCHEMBL8113298 | 0.71 | HSD17B1 (0.37) | ALDH1A1NPC1RAB9AMAPK1MAPT | |
| SCHEMBL9452619 | 0.71 | MAPT (0.41) | HPGDALDH1A1TSHRCYP3A4NPC1 | |
| SCHEMBL10229556 | 0.71 | TDP2 (0.49) | ALDH1A1NPC1RAB9AMAPTGRIN2B | |
| SCHEMBL5145572 | 0.71 | PNMT (0.51) | ALDH1A1NPC1RAB9AMAPTGRIN2B | |
| SCHEMBL18875031 | 0.70 | PNMT (0.54) | ALDH1A1MAPT |
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-2684874-B1 | Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors | CEPHALON INC (US) | 2017-05-17 | — | — | EP | disclosed |