Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PHGDH | O43175 | 3/20 | 0.46 |
| ▸ | MGLL | Q99685 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 13/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 6/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 5/20 | 0.42 |
| ▸ | RELA | Q04206 | 5/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 4/20 | 0.39 |
| ▸ | HTT | P42858 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | ALDH2 | P05091 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.39 |
| ▸ | GMNN | O75496 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11610349 | 1.00 | PHGDH (0.46) | PHGDHMGLLALDH1A1NFKB1NFKB2 | |
| SCHEMBL11612952 | 0.83 | LMNA (0.34) | MGLLALDH1A1MAPTLMNAHPGD | |
| SCHEMBL11612950 | 0.83 | LMNA (0.34) | MGLLALDH1A1MAPTLMNAHPGD | |
| SCHEMBL11611745 | 0.77 | NPC1 (0.55) | ALDH1A1NFKB1NFKB2RELAMAPT | |
| SCHEMBL11611743 | 0.77 | NPC1 (0.55) | ALDH1A1NFKB1NFKB2RELAMAPT | |
| SCHEMBL11610471 | 0.77 | PHGDH (0.54) | PHGDHMGLLALDH1A1NFKB1NFKB2 | |
| SCHEMBL2345242 | 0.77 | ALDH1A1 (0.56) | PHGDHMGLLALDH1A1NFKB1NFKB2 | |
| SCHEMBL11609037 | 0.76 | ALDH1A1 (0.53) | ALDH1A1NFKB1NFKB2RELAMAPT | |
| SCHEMBL11609270 | 0.76 | AKR1B1 (0.49) | ALDH1A1NFKB1NFKB2RELACYP2C9 | |
| SCHEMBL11609035 | 0.76 | ALDH1A1 (0.53) | ALDH1A1NFKB1NFKB2RELAMAPT |
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-4076814-A | DITHIOCARBAMIC ACID DERIVATIVES | SANKYO COMPANY LIMITED (JA) | 1978-02-28 | — | — | US | disclosed |