Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.48 |
| ▸ | MGLL | Q99685 | 7/20 | 0.48 |
| ▸ | ALDH2 | P05091 | 6/20 | 0.48 |
| ▸ | PHGDH | O43175 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | FBP1 | P09467 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.48 |
| ▸ | LOX | P28300 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | LOXL3 | P58215 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | LOXL4 | Q96JB6 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6123115 | 0.74 | ALDH1A1 (0.48) | ALDH1A1MGLLALDH2PHGDHLMNA | |
| SCHEMBL1079287 | 0.72 | PHGDH (0.31) | ALDH1A1MGLLALDH2PHGDHLMNA | |
| SCHEMBL11399453 | 0.72 | PHGDH (0.31) | ALDH1A1MGLLALDH2PHGDHLMNA | |
| SCHEMBL11229111 | 0.72 | PHGDH (0.31) | ALDH1A1MGLLALDH2PHGDHLMNA | |
| SCHEMBL7952884 | 0.72 | PHGDH (0.31) | ALDH1A1MGLLALDH2PHGDHLMNA | |
| SCHEMBL1096599 | 0.70 | — | — | |
| Disulfiram SCHEMBL11155542 | 0.69 | ALDH1A1 (0.94) | ALDH1A1MGLLALDH2PHGDHLMNA | |
| SCHEMBL8086642 | 0.69 | — | — | |
| SCHEMBL989000 | 0.67 | ALDH1A1 (0.47) | ALDH1A1MGLLALDH2PHGDHLMNA | |
| SCHEMBL5256055 | 0.67 | ALDH1A1 (0.33) | ALDH1A1MGLLALDH2PHGDHLMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997005867-A1 | TREATMENT OF TRICHOMONAL INFECTIONS WITH DITIOCARB OR DISULFIRAM | BRITISH TECHNOLOGY GROUP LIMITED (GB) | 1997-02-20 | — | — | WO | disclosed |