Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.45 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CNR1 | P21554 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7930011 | 0.90 | L3MBTL1 (0.47) | CYP1A2SMN1; SMN2KDM4EHTTALDH1A1 | |
| SCHEMBL25616713 | 0.89 | CYP1A2 (0.52) | CYP1A2MAP4K4SMN1; SMN2KDM4EHTT | |
| SCHEMBL10452705 | 0.86 | NPSR1 (0.41) | MAP4K4PTGS2NPSR1 | |
| SCHEMBL10388611 | 0.86 | CYP1A2 (0.46) | CYP1A2MAP4K4KDM4EALDH1A1SUCNR1 | |
| SCHEMBL1585957 | 0.83 | CNR1 (0.46) | CYP1A2MAP4K4CNR1ESR2MAPT | |
| SCHEMBL24999271 | 0.82 | CYP1A2 (0.65) | CYP1A2MAP4K4SMN1; SMN2KDM4EHTT | |
| SCHEMBL25246242 | 0.82 | CYP1A2 (0.65) | CYP1A2MAP4K4SMN1; SMN2KDM4EHTT | |
| SCHEMBL30202105 | 0.82 | CYP1A2 (0.65) | CYP1A2MAP4K4SMN1; SMN2KDM4EHTT | |
| SCHEMBL13176931 | 0.81 | MAP4K4 (0.50) | CYP1A2MAP4K4SMN1; SMN2SUCNR1NPC1 | |
| SCHEMBL28612538 | 0.81 | ESR2 (0.58) | HTTPOLBRAB9AMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-4980508-A | Oxidation of 1,2-disulonyhydrazine compound with concentrated nitric acid | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1990-12-25 | — | — | US | disclosed |