Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.87 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
| ▸ | GAA | P10253 | 1/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | RECQL | P46063 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | PARG | Q86W56 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.55 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | PDE4A | P27815 | 1/20 | 0.53 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.53 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.53 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL23052294 | 0.85 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2KMT2ATDP1GAA | |
| SCHEMBL14419472 | 0.85 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2KMT2ATDP1GAA | |
| SCHEMBL2372122 | 0.85 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2KMT2ATDP1GAA | |
| SCHEMBL29956105 | 0.82 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2KMT2ATDP1GAA | |
| SCHEMBL16195567 | 0.82 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2KMT2ATDP1GAA | |
| SCHEMBL20078764 | 0.80 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2KMT2ATDP1GAA | |
| SCHEMBL2372546 | 0.79 | ALDH1A1 (0.83) | ALDH1A1SMN1; SMN2KMT2ATDP1GAA | |
| SCHEMBL17205858 | 0.79 | ALDH1A1 (0.57) | ALDH1A1SMN1; SMN2KMT2ATDP1GAA | |
| SCHEMBL17205857 | 0.79 | ALDH1A1 (0.57) | ALDH1A1SMN1; SMN2KMT2ATDP1GAA | |
| SCHEMBL1727236 | 0.79 | ALDH1A1 (0.57) | ALDH1A1SMN1; SMN2KMT2ATDP1GAA |
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-9949955-B2 | Triazolone compounds as mPGES-1 inhibitors | GLENMARK PHARMACEUTICALS S.A. (CH) | 2018-04-24 | — | — | US | disclosed |