Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK2 | Q9NRA0 | 2/20 | 0.39 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.39 |
| ▸ | LPL | P06858 | 1/20 | 0.38 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.38 |
| ▸ | PLK1 | P53350 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | CCR9 | P51686 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 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 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | CTDSP1 | Q9GZU7 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19194398 | 0.84 | ESR1 (0.39) | LPLLIPGPLK1ESR1ESR2 | |
| SCHEMBL5824698 | 0.78 | ESR1 (0.42) | SPHK2SPHK1ESR1ESR2CCR9 | |
| SCHEMBL2441358 | 0.78 | LOXL2 (0.40) | ESR1ESR2CCR9GRIN2DGRIN3B | |
| SCHEMBL9270671 | 0.77 | CCR9 (0.34) | ESR1ESR2CCR9GRIN2DGRIN3B | |
| SCHEMBL5183013 | 0.76 | LPL (0.45) | LPLLIPGPLK1ESR1ESR2 | |
| SCHEMBL18911101 | 0.76 | RORC (0.41) | SPHK2LPLLIPGPLK1CA2 | |
| SCHEMBL19193434 | 0.76 | TSHR (0.43) | ESR1ESR2CCR9GRIN2DGRIN3B | |
| SCHEMBL8351691 | 0.75 | TSHR (0.48) | ESR1ESR2CCR9CA2GRIN2D | |
| SCHEMBL547138 | 0.74 | KCNH2 (0.53) | LPLLIPGPLK1CA2 | |
| SCHEMBL5580 | 0.74 | MAPT (0.53) | ESR1ESR2CCR9GRIN2DGRIN3B |
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-2016018773-A1 | CCR9 ANTAGONIST COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2016-02-04 | — | — | WO | disclosed |