Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 3/20 | 0.61 |
| ▸ | CA12 | O43570 | 4/20 | 0.50 |
| ▸ | CA1 | P00915 | 4/20 | 0.50 |
| ▸ | CA2 | P00918 | 4/20 | 0.50 |
| ▸ | CA9 | Q16790 | 4/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | CTSB | P07858 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL11052823 | 0.90 | VCAM1 (0.66) | VCAM1ALDH1A1 | |
| SCHEMBL11048680 | 0.87 | KMT2A (0.73) | VCAM1CA1CA2GAALMNA | |
| SCHEMBL29242001 | 0.86 | CA2 (0.68) | VCAM1CA12CA1CA2CA9 | |
| SCHEMBL27732196 | 0.85 | ALDH1A1 (0.57) | VCAM1CA12CA1CA2CA9 | |
| SCHEMBL1008124 | 0.85 | ALDH1A1 (0.54) | VCAM1CA12CA1CA2CA9 | |
| SCHEMBL9512230 | 0.85 | VCAM1 (0.50) | VCAM1CA12CA1CA2CA9 | |
| SCHEMBL11049160 | 0.84 | KMT2A (0.48) | VCAM1CA12CA1CA2CA9 | |
| SCHEMBL11591103 | 0.83 | CA12 (0.46) | VCAM1CA12CA1CA2CA9 | |
| SCHEMBL2515785 | 0.82 | ALDH1A1 (0.47) | VCAM1CA12CA1CA2CA9 | |
| SCHEMBL9186437 | 0.80 | PTPN1 (0.56) | VCAM1CA12CA1CA2CA9 |
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-4482742-A | CATALYTIC REDUCING AND DEHALOGENATION 3,3*-DINTITRODIPHENYLSULFONE | MITSUI TOATSU CHEMICALS INC. (JP) | 1984-11-13 | — | — | US | disclosed |