Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.77 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.63 |
| ▸ | LMNA | P02545 | 3/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.60 |
| ▸ | HTT | P42858 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 4/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
| ▸ | IDO1 | P14902 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | GFER | P55789 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL28790906 | 0.84 | FFAR4 (0.68) | PKMALDH1A1LMNASMN1; SMN2MAPK1 | |
| SCHEMBL8921186 | 0.83 | PKM (0.64) | PKMALDH1A1LMNASMN1; SMN2MAPK1 | |
| SCHEMBL1832506 | 0.82 | ALDH1A1 (0.57) | PKMALDH1A1SMN1; SMN2ALOX15HTT | |
| SCHEMBL7834756 | 0.81 | LMNA (0.66) | PKMALDH1A1LMNASMN1; SMN2MAPK1 | |
| SCHEMBL29118884 | 0.81 | PKM (0.73) | PKMALDH1A1LMNASMN1; SMN2MAPK1 | |
| SCHEMBL10572974 | 0.81 | FFAR4 (0.68) | PKMALDH1A1LMNASMN1; SMN2ALOX15 | |
| SCHEMBL7574036 | 0.80 | PKM (0.68) | PKMALDH1A1LMNASMN1; SMN2MAPK1 | |
| SCHEMBL14573241 | 0.80 | PKM (0.56) | PKMALDH1A1LMNASMN1; SMN2MAPK1 | |
| SCHEMBL4966207 | 0.80 | KDM4E (0.69) | PKMALDH1A1LMNASMN1; SMN2MAPK1 | |
| SCHEMBL9365750 | 0.79 | PKM (0.73) | PKMALDH1A1LMNASMN1; SMN2MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3663293-A1 | SUBSTITUTED PENTA- AND HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF | Xiamen University (CN) | 2020-06-10 | — | — | EP | disclosed |