Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR2 | P25025 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | FLT1 | P17948 | 1/20 | 0.33 |
| ▸ | FLT4 | P35916 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23175320 | 0.89 | CXCR2 (0.40) | CXCR2RAB9ASMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL28664691 | 0.82 | CXCR2 (0.39) | CXCR2RAB9ASMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL21835152 | 0.81 | CXCR2 (0.39) | CXCR2RAB9ASMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL28200173 | 0.77 | ALOX15 (0.41) | RAB9ASMN1; SMN2ALDH1A1MEN1MAPT | |
| SCHEMBL30462809 | 0.76 | CA1 (0.41) | CXCR2RAB9ASMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL20694514 | 0.76 | ALDH1A1 (0.48) | CXCR2RAB9ASMN1; SMN2ALDH1A1MEN1 | |
| Hydrochloric Acid SCHEMBL28200736 | 0.76 | ALOX15 (0.39) | RAB9ASMN1; SMN2ALDH1A1MEN1MAPT | |
| SCHEMBL31218238 | 0.76 | RAB9A (0.39) | CXCR2RAB9ASMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL12425149 | 0.76 | CA1 (0.41) | CXCR2RAB9ASMN1; SMN2ALDH1A1MEN1 | |
| Hydrochloric Acid SCHEMBL2301788 | 0.74 | CA1 (0.40) | CXCR2RAB9ASMN1; SMN2ALDH1A1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104974161-A | 4H-pyrazolo[1,5-[alpha]]benzimidazole compound analogue as PARP inhibitor | NANJING MINGDE NEW DRUG RES AND DEV CO LTD | 2015-10-14 | — | — | CN | disclosed |