Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGK1 | P00558 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.35 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | GRIN2D | O15399 | 3/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 3/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 3/20 | 0.33 |
| ▸ | GRIN3A | Q8TCU5 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL19782751 | 0.81 | MAPT (0.35) | ALDH1A1TSHRMAPTPTGER4LMNA | |
| SCHEMBL30189995 | 0.81 | MAPT (0.35) | ALDH1A1TSHRMAPTPTGER4LMNA | |
| SCHEMBL19776332 | 0.74 | ATR (0.36) | ALDH1A1MAPTSMN1; SMN2NPSR1KCNH2 | |
| SCHEMBL30810784 | 0.74 | ATR (0.36) | ALDH1A1MAPTSMN1; SMN2NPSR1KCNH2 | |
| SCHEMBL19776479 | 0.73 | ALDH1A1 (0.47) | ALDH1A1TSHRMAPTVCAM1LMNA | |
| SCHEMBL18322420 | 0.73 | PTGER4 (0.45) | ALDH1A1MAPTPTGER4LMNASMN1; SMN2 | |
| SCHEMBL18321960 | 0.71 | ALDH1A1 (0.35) | ALDH1A1TSHRMAPTLMNAGRIN2D | |
| SCHEMBL34472876 | 0.70 | HCAR3 (0.38) | PGK1ALDH1A1MAPTPTGER4LMNA | |
| SCHEMBL5152085 | 0.70 | PTGER4 (0.42) | PGK1ALDH1A1MAPTPTGER4VCAM1 | |
| SCHEMBL19776316 | 0.70 | PGK1 (0.44) | PGK1ALDH1A1MAPTVCAM1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018013776-A1 | TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-01-18 | — | — | WO | disclosed |