Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 5/20 | 0.41 |
| ▸ | EGFR | P00533 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.39 |
| ▸ | FLT1 | P17948 | 3/20 | 0.39 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | MAP2K1 | Q02750 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20155101 | 0.85 | ALDH1A1 (0.47) | NPC1RAB9AHPGDSMN1; SMN2KDR | |
| SCHEMBL20155425 | 0.83 | SOS1 (0.46) | NPC1RAB9ASMN1; SMN2KMT2ACA12 | |
| SCHEMBL20155075 | 0.81 | NUDT1 (0.42) | KDREGFRKMT2ANUDT1FLT1 | |
| SCHEMBL20155463 | 0.79 | ALOX15 (0.45) | KMT2AALDH1A1GAAALOX15HTT | |
| SCHEMBL20155653 | 0.78 | ALDH1A1 (0.41) | RAB9ASMN1; SMN2EGFRKMT2ACA12 | |
| SCHEMBL20155710 | 0.78 | ALDH1A1 (0.51) | NPC1RAB9AHPGDSMN1; SMN2KDR | |
| SCHEMBL1662774 | 0.76 | MAPK14 (0.41) | NPC1RAB9ASMN1; SMN2KMT2ACA1 | |
| SCHEMBL15639471 | 0.76 | KMT2A (0.41) | NPC1RAB9AHPGDSMN1; SMN2KDR | |
| SCHEMBL20155629 | 0.75 | ALDH1A1 (0.47) | EGFRKMT2AALDH1A1GAAALOX15 | |
| SCHEMBL20155614 | 0.73 | IDO1 (0.40) | KMT2ACA12CA1CA2CA9 |
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-2018086604-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |