Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9550990 | 0.78 | KDM4E (0.32) | KDM4EALDH1A1OPRK1KMT2A | |
| SCHEMBL23673376 | 0.74 | ERBB2 (0.36) | ERBB2KDM4E | |
| SCHEMBL26144385 | 0.71 | NNMT (0.41) | ERBB2ALDH1A1KMT2A | |
| SCHEMBL2174346 | 0.69 | — | — | |
| SCHEMBL1822712 | 0.69 | — | — | |
| SCHEMBL29112771 | 0.67 | NNMT (0.38) | KMT2A | |
| SCHEMBL19155961 | 0.65 | — | — | |
| SCHEMBL23841200 | 0.64 | KDM4E (0.48) | KDM4EALDH1A1OPRK1KMT2A | |
| SCHEMBL12062496 | 0.62 | POLB (0.34) | KDM4EALDH1A1OPRK1KMT2A | |
| SCHEMBL11702390 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0527131-A1 | CHELANTS | NYCOMED SALUTAR, INC. (US) | 1993-02-17 | — | — | EP | disclosed |
| WO-1991010645-A2 | CHELANTS | COCKBAIN, JULIAN, RODERICK, MICHAELSON (GB) | 1991-07-25 | — | — | WO | disclosed |