Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.37 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | PPOX | P50336 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.31 |
| ▸ | WEE1 | P30291 | 1/20 | 0.31 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4975643 | 0.82 | PARP1 (0.39) | PARP1PPOXGSK3BMAOAMAOB | |
| SCHEMBL2312949 | 0.82 | PARP1 (0.39) | PARP1PPOXGSK3BMAOAMAOB | |
| SCHEMBL11615863 | 0.82 | SRD5A1 (0.44) | PARP1PPOXGABRA1GABRB2CHEK1 | |
| SCHEMBL170914 | 0.78 | GABRA1 (0.49) | PARP1ELANEGABRA1GABRB2GSK3B | |
| SCHEMBL7173521 | 0.77 | TDP1 (0.40) | PARP1ELANEGABRA1GABRB2GSK3B | |
| Ammonia Solution, Strong SCHEMBL3259478 | 0.77 | GABRA1 (0.47) | PARP1ELANEGABRA1GABRB2GSK3B | |
| SCHEMBL6929451 | 0.75 | PARP1 (0.36) | PARP1PPOXGSK3BMAOAMAOB | |
| SCHEMBL4552739 | 0.73 | PIM1 (0.36) | PARP1 | |
| SCHEMBL11662035 | 0.72 | SRD5A1 (0.39) | ELANESRD5A1CASP3KDM4EALDH1A1 | |
| SCHEMBL7600157 | 0.72 | ELANE (0.48) | ELANEGABRA1GABRB2MAOAMAOB |
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 |
|---|---|---|---|---|---|---|---|
| JP-1121394-A | — | — | None | — | — | JP | disclosed |
| JP-H01121394-A | THERMALLY COLOR-CHANGEABLE COLORING MATERIAL | TANAKA INK KAGAKU KOGYO KK | 1989-05-15 | — | — | JP | disclosed |