Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 1/20 | 0.53 |
| ▸ | TOP1 | P11387 | 2/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.47 |
| ▸ | SQOR | Q9Y6N5 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.44 |
| ▸ | STAT1 | P42224 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.41 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.41 |
| ▸ | FLT3 | P36888 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29604379 | 0.88 | LDHA (0.64) | LDHASQORFLT3NPC1PDGFRB | |
| SCHEMBL117744 | 0.88 | LDHA (0.64) | LDHASQORFLT3NPC1PDGFRB | |
| SCHEMBL19794359 | 0.88 | LDHA (0.48) | LDHATOP1ADORA1SQORCYP1A2 | |
| SCHEMBL29365185 | 0.87 | LDHA (0.62) | LDHAADORA1SQORADORA2AFLT3 | |
| SCHEMBL14988841 | 0.87 | LDHA (0.62) | LDHAADORA1SQORADORA2AFLT3 | |
| SCHEMBL19933730 | 0.87 | LDHA (0.42) | LDHATOP1ADORA1CYP1A2HPGD | |
| SCHEMBL18015452 | 0.85 | LDHA (0.41) | LDHATOP1ADORA1SQORCYP1A2 | |
| SCHEMBL19454861 | 0.85 | LDHA (0.57) | LDHAADORA1HPGDADORA2AFLT3 | |
| SCHEMBL21202798 | 0.84 | IDO1 (0.39) | LDHATOP1ADORA1HPGDPTK2B | |
| SCHEMBL18015344 | 0.84 | RAB9A (0.45) | LDHAHPGDNPC1RAB9ASMN1; 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-3526228-B1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2020-11-25 | — | — | EP | disclosed |