Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC9A1 | P19634 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 6/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.34 |
| ▸ | PTK2 | Q05397 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18617398 | 0.78 | GRM2 (0.43) | SLC9A1GRM2ALDH1A1LMNATSHR | |
| SCHEMBL18616566 | 0.77 | SLC9A1 (0.44) | SLC9A1TDP1GRM2CHEK1LIMK1 | |
| SCHEMBL18617601 | 0.77 | MAPT (0.33) | ALDH1A1LMNAKMT2ANUDT1BACE1 | |
| SCHEMBL18617662 | 0.74 | SLC9A1 (0.48) | SLC9A1TDP1GRM2ALDH1A1LMNA | |
| SCHEMBL18617433 | 0.69 | ALDH1A1 (0.55) | SLC9A1TDP1GRM2ALDH1A1LMNA | |
| SCHEMBL18586233 | 0.68 | SLC9A1 (0.44) | SLC9A1TDP1GRM2ALDH1A1LMNA | |
| SCHEMBL13604173 | 0.68 | SLC9A1 (0.49) | SLC9A1TDP1GRM2CHEK1LIMK1 | |
| SCHEMBL18617437 | 0.66 | TNF (0.37) | TDP1ALDH1A1LMNATP53HPGD | |
| SCHEMBL18618042 | 0.64 | MPO (0.48) | ALDH1A1LMNATSHRKMT2A | |
| SCHEMBL20658823 | 0.64 | SLC9A1 (0.52) | SLC9A1TDP1GRM2ALDH1A1LMNA |
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-2017040449-A1 | TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-03-09 | — | — | WO | disclosed |