Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 8/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | PLEC | Q15149 | 1/20 | 0.41 |
| ▸ | FABP4 | P15090 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.33 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL13401684 | 0.85 | HCAR3 (0.64) | HCAR3MAPTALDH1A1GAAHPGD | |
| SCHEMBL16406364 | 0.77 | HCAR3 (0.36) | HCAR3MAPTKDM4EALDH1A1HTT | |
| SCHEMBL9944765 | 0.74 | HCAR3 (0.58) | HCAR3MAPTALDH1A1GAAHPGD | |
| SCHEMBL19334478 | 0.72 | MAPT (0.53) | HCAR3MAPTKDM4EALDH1A1GAA | |
| SCHEMBL15636591 | 0.67 | KDM4E (0.44) | HCAR3MAPTKDM4EALDH1A1GAA | |
| SCHEMBL30309524 | 0.67 | MAPT (0.57) | HCAR3MAPTALDH1A1GAAHTT | |
| SCHEMBL9206969 | 0.67 | MAPT (0.57) | HCAR3MAPTALDH1A1GAAHTT | |
| SCHEMBL4211532 | 0.67 | KMT2A (0.72) | HCAR3MAPTALDH1A1GAAHTT | |
| SCHEMBL184136 | 0.66 | ALDH1A1 (0.62) | KDM4EALDH1A1HPGDFABP4KMT2A | |
| SCHEMBL17938290 | 0.66 | ALDH1A1 (0.63) | HCAR3MAPTKDM4EALDH1A1GAA |
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-9757375-B2 | Compounds that inhibit human DNA ligases and methods of treating cancer | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2017-09-12 | — | — | US | disclosed |