Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.61 |
| ▸ | MAPT | P10636 | 9/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | S100A4 | P26447 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14637949 | 0.89 | HPGD (0.62) | HPGDMAPTALDH1A1MAPK1GAA | |
| SCHEMBL12312055 | 0.85 | ALDH1A1 (0.65) | MAPTALDH1A1MAPK1GAALMNA | |
| SCHEMBL12005041 | 0.80 | MAPT (0.67) | MAPTALDH1A1MAPK1GAALMNA | |
| SCHEMBL14747901 | 0.79 | ALDH1A1 (0.49) | HPGDMAPTALDH1A1GAAKDM4E | |
| SCHEMBL2559261 | 0.79 | RAB9A (0.47) | HPGDMAPTALDH1A1LMNAKDM4E | |
| SCHEMBL1911872 | 0.79 | ZAP70 (0.49) | HPGDMAPTALDH1A1KDM4EHSD17B10 | |
| SCHEMBL6653754 | 0.78 | HPGD (0.97) | HPGDMAPTALDH1A1MAPK1LMNA | |
| SCHEMBL5388184 | 0.78 | HPGD (0.62) | HPGDMAPTALDH1A1MAPK1LMNA | |
| SCHEMBL2129133 | 0.78 | HPGD (0.62) | HPGDMAPTALDH1A1MAPK1LMNA | |
| SCHEMBL6257426 | 0.77 | ALDH1A1 (0.47) | HPGDMAPTALDH1A1MAPK1GAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013012827-A1 | DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-01-24 | — | — | WO | disclosed |
| WO-2013012829-A1 | DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-01-24 | — | — | WO | disclosed |