Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.33 |
| ▸ | GMNN | O75496 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CETP | P11597 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | UBE2N | P61088 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20633946 | 1.00 | CYP2D6 (0.33) | CYP2D6SPHK1GMNNLMNAPOLB | |
| SCHEMBL26441761 | 0.78 | TDP1 (0.31) | — | |
| SCHEMBL23691362 | 0.72 | — | — | |
| SCHEMBL15545958 | 0.65 | CYP2D6 (0.52) | CYP2D6SPHK1GMNNLMNAPOLB | |
| SCHEMBL20089285 | 0.64 | — | — | |
| SCHEMBL20634637 | 0.61 | — | — | |
| SCHEMBL18294345 | 0.61 | — | — | |
| SCHEMBL22036302 | 0.61 | — | — | |
| SCHEMBL2693277 | 0.61 | — | — | |
| SCHEMBL4947043 | 0.60 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4169924-A2 | SYNTHESIS OF HALICHONDRINS | President And Fellows Of Harvard College (US) | 2023-04-26 | — | — | EP | disclosed |
| EP-3649135-B1 | SYNTHESIS OF HALICHONDRINS | HARVARD COLLEGE (US) | 2022-12-28 | — | — | EP | disclosed |
| WO-2019010363-A1 | SYNTHESIS OF HALICHONDRINS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2019-01-10 | — | — | WO | disclosed |