Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | PLK1 | P53350 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9746488 | 0.89 | NCEH1 (0.45) | NCEH1ALDH1A1HSD17B10KDM4EGAA | |
| Hydrochloric Acid SCHEMBL11097117 | 0.88 | NCEH1 (0.44) | NCEH1ALDH1A1HSD17B10KDM4EGAA | |
| Phosphonic Acid SCHEMBL27297809 | 0.77 | KCNJ11 (0.39) | NCEH1ALDH1A1HSD17B10KDM4EHPGD | |
| Phosphonic Acid SCHEMBL27293071 | 0.75 | TSHR (0.54) | NCEH1ALDH1A1KDM4EMEN1KMT2A | |
| Phenanthrene SCHEMBL3811616 | 0.73 | ALDH1A1 (0.67) | ALDH1A1HSD17B10POLBHPGDMAPT | |
| SCHEMBL14310593 | 0.71 | PTPN22 (0.54) | ALDH1A1HSD17B10KDM4EGAAMEN1 | |
| SCHEMBL7173525 | 0.70 | IDO1 (0.49) | NCEH1ALDH1A1HSD17B10KDM4EGAA | |
| SCHEMBL12787291 | 0.70 | HSD17B10 (0.48) | ALDH1A1HSD17B10HPGDMAPTATM | |
| SCHEMBL8617702 | 0.70 | NCEH1 (0.39) | NCEH1ALDH1A1HSD17B10KDM4EGAA | |
| SCHEMBL28056928 | 0.69 | METAP2 (0.60) | NCEH1ALDH1A1HSD17B10KDM4EGAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1038840-C | para-dinitrogen naphthalene derivative, its preparation method and its medical use | SCHERING AG (DE) | 1998-06-24 | — | — | CN | disclosed |
| CN-1072929-A | Para-dinitronaphthalene derivative, preparation method and medical application thereof | SCHERING AG (DE) | 1993-06-09 | — | — | CN | disclosed |