Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.73 |
| ▸ | GAA | P10253 | 1/20 | 0.73 |
| ▸ | HTT | P42858 | 1/20 | 0.73 |
| ▸ | LMNA | P02545 | 3/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | VCAM1 | P19320 | 8/20 | 0.58 |
| ▸ | PKM | P14618 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | CA5A | P35218 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | MMP1 | P03956 | 1/20 | 0.51 |
| ▸ | MMP2 | P08253 | 1/20 | 0.51 |
| ▸ | MMP9 | P14780 | 1/20 | 0.51 |
| ▸ | MMP8 | P22894 | 1/20 | 0.51 |
| ▸ | MMP13 | P45452 | 1/20 | 0.51 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.50 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL28106126 | 0.88 | VCAM1 (0.77) | KMT2AGAAHTTLMNAALDH1A1 | |
| SCHEMBL29780388 | 0.87 | VCAM1 (0.73) | ALDH1A1VCAM1NPBWR1MCHR1 | |
| SCHEMBL809482 | 0.87 | VCAM1 (0.73) | ALDH1A1VCAM1NPBWR1MCHR1 | |
| SCHEMBL10452716 | 0.87 | VCAM1 (0.73) | ALDH1A1VCAM1NPBWR1MCHR1 | |
| SCHEMBL4001670 | 0.86 | VCAM1 (0.64) | KMT2AALDH1A1VCAM1NPBWR1MCHR1 | |
| SCHEMBL10719874 | 0.86 | VCAM1 (0.63) | ALDH1A1VCAM1NPBWR1MCHR1 | |
| SCHEMBL9580710 | 0.85 | KMT2A (1.00) | KMT2AGAAHTTLMNAMAPT | |
| SCHEMBL11050497 | 0.84 | VCAM1 (0.56) | KMT2AGAAHTTALDH1A1VCAM1 | |
| SCHEMBL11593110 | 0.83 | KMT2A (0.75) | KMT2AGAAHTTLMNAMAPT | |
| SCHEMBL11756876 | 0.83 | KMT2A (0.80) | KMT2AGAAHTTLMNAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-4482742-A | CATALYTIC REDUCING AND DEHALOGENATION 3,3*-DINTITRODIPHENYLSULFONE | MITSUI TOATSU CHEMICALS INC. (JP) | 1984-11-13 | — | — | US | disclosed |
| US-4036838-A | Process for the production of nitro derivatives of aromatic compounds | BAYER AKTIENGESELLSCHAFT (DT) | 1977-07-19 | — | — | US | disclosed |