Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 5/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MITF | O75030 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | KIF18A | Q8NI77 | 1/20 | 0.44 |
| ▸ | FSCN1 | Q16658 | 1/20 | 0.43 |
| ▸ | NHERF1 | O14745 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11048190 | 0.89 | VCAM1 (0.55) | VCAM1ALDH1A1HIF1ASMN1; SMN2MEN1 | |
| SCHEMBL11048103 | 0.89 | VCAM1 (0.71) | VCAM1ALDH1A1HIF1ASMN1; SMN2MEN1 | |
| SCHEMBL11042282 | 0.89 | VCAM1 (0.58) | VCAM1ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL11048497 | 0.84 | VCAM1 (0.49) | VCAM1ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL11048180 | 0.84 | VCAM1 (0.63) | VCAM1ALDH1A1HIF1ASMN1; SMN2MEN1 | |
| SCHEMBL11046187 | 0.84 | ALDH1A1 (0.48) | VCAM1ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL10453009 | 0.81 | ALDH1A1 (0.62) | VCAM1ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL10453008 | 0.81 | ALDH1A1 (0.62) | VCAM1ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL133996 | 0.79 | VCAM1 (1.00) | VCAM1ALDH1A1HIF1ASMN1; SMN2MEN1 | |
| SCHEMBL29510874 | 0.79 | VCAM1 (1.00) | VCAM1ALDH1A1HIF1ASMN1; SMN2MEN1 |
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 |