Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.42 |
| ▸ | CFTR | P13569 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | FADS1 | O60427 | 1/20 | 0.37 |
| ▸ | NSD2 | O96028 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13468038 | 0.81 | MMP2 (0.39) | MMP2ALDH1A1HSD17B10CFTRMAPT | |
| SCHEMBL5227176 | 0.81 | MMP2 (0.61) | MMP2ALDH1A1HSD17B10MAPTGAA | |
| SCHEMBL29586692 | 0.81 | MMP2 (0.61) | MMP2ALDH1A1HSD17B10MAPTGAA | |
| SCHEMBL11206826 | 0.79 | PARP1 (0.44) | ALDH1A1HSD17B10MAPTGAAKDM4E | |
| SCHEMBL19972048 | 0.79 | MMP2 (0.44) | MMP2ALDH1A1HSD17B10CFTRMAPT | |
| SCHEMBL5210612 | 0.79 | ALDH1A1 (0.67) | ALDH1A1HSD17B10CFTRMAPTGAA | |
| SCHEMBL1873518 | 0.78 | KMT2A (0.41) | ALDH1A1HSD17B10KDM4EHPGDLMNA | |
| SCHEMBL505381 | 0.78 | MMP2 (0.47) | MMP2ALDH1A1HSD17B10CFTRBRD4 | |
| 2-Aminoacetophenone SCHEMBL29366456 | 0.78 | ALDH1A1 (0.59) | MMP2ALDH1A1HSD17B10CFTRBRD4 | |
| 2-Aminoacetophenone SCHEMBL309044 | 0.78 | ALDH1A1 (0.59) | MMP2ALDH1A1HSD17B10CFTRBRD4 |
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-3165520-A1 | SUBSTITUTED BENZENE COMPOUNDS | Epizyme Inc (US) | 2017-05-10 | — | — | EP | disclosed |
| EP-2697198-B1 | SUBSTITUTED BENZENE COMPOUNDS | EPIZYME INC (US) | 2016-06-08 | — | — | EP | disclosed |
| CN-1711247-A | Celecoxib prodrug | PHARMACIA CORP (US) | 2005-12-21 | — | — | CN | disclosed |