Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 2/20 | 0.47 |
| ▸ | PPOX | P50336 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | METAP1 | P53582 | 2/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | VHL | P40337 | 1/20 | 0.36 |
| ▸ | ELOC | Q15369 | 1/20 | 0.36 |
| ▸ | ELOB | Q15370 | 1/20 | 0.36 |
| ▸ | F7 | P08709 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | F3 | P13726 | 1/20 | 0.36 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31199227 | 1.00 | S100A4 (0.47) | S100A4PPOXMAPTMETAP1HSP90AA1 | |
| SCHEMBL31199237 | 0.81 | TDP1 (0.42) | S100A4PPOXMAPTMETAP1RAB9A | |
| SCHEMBL31199232 | 0.81 | S100A4 (0.52) | S100A4PPOXMETAP1HSP90AA1CYP19A1 | |
| SCHEMBL31199239 | 0.79 | S100A4 (0.38) | S100A4PPOXMETAP1HSP90AA1CYP19A1 | |
| SCHEMBL2229729 | 0.77 | ACHE (0.44) | METAP1CYP19A1ALDH1A1KMT2APARP10 | |
| SCHEMBL31199233 | 0.77 | ACHE (0.44) | METAP1CYP19A1ALDH1A1KMT2APARP10 | |
| SCHEMBL9641853 | 0.75 | S100A4 (0.56) | S100A4PPOXMETAP1HSP90AA1CYP19A1 | |
| SCHEMBL30230228 | 0.75 | METAP1 (0.37) | S100A4PPOXMETAP1HSP90AA1KMT2A | |
| SCHEMBL787128 | 0.74 | MEN1 (0.48) | S100A4MAPTRAB9AKDM4EALDH1A1 | |
| SCHEMBL29156470 | 0.74 | S100A4 (0.40) | S100A4PPOXMETAP1HSP90AA1CYP19A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0430164-B1 | Process for preparation of 2-substituted-1,4-naphthoquinone | NIPPON CATALYTIC CHEM IND (JP) | 1995-03-22 | — | — | EP | disclosed |
| US-5329026-A | Oxidation of substituted naphthoquinone, adding a diene compound to reaction product, separation | NIPPON SHOKUBAI KAGAKU KOGYO CO., LTD. (JP) | 1994-07-12 | — | — | US | disclosed |
| EP-0430164-A2 | Process for preparation of 2-substituted-1,4-naphthoquinone | NIPPON SHOKUBAI KAGAKU KOGYO CO. LTD. (JP) | 1991-06-05 | — | — | EP | disclosed |