Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PBRM1 | Q86U86 | 2/20 | 0.43 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | ITGB2 | P05107 | 2/20 | 0.37 |
| ▸ | ICAM1 | P05362 | 2/20 | 0.37 |
| ▸ | ITGAL | P20701 | 2/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL5264763 | 0.81 | ALDH1A1 (0.39) | PBRM1PARP1TDP1LMNAKDM4E | |
| SCHEMBL5261947 | 0.78 | CA12 (0.47) | TDP1KDM4EALDH1A1TSHRHSD17B10 | |
| SCHEMBL203321 | 0.75 | CES2 (0.64) | PBRM1CES2CES1ITGB2ICAM1 | |
| SCHEMBL14731241 | 0.75 | CES2 (0.48) | PBRM1CES2CES1ITGB2ICAM1 | |
| SCHEMBL28267101 | 0.73 | CES2 (0.61) | PBRM1CES2CES1ITGB2ICAM1 | |
| Hydrochloric Acid SCHEMBL5053757 | 0.73 | CES2 (0.61) | PBRM1CES2CES1ITGB2ICAM1 | |
| SCHEMBL6548997 | 0.72 | REV1 (0.40) | CES2CES1KDM4EALDH1A1 | |
| SCHEMBL5455027 | 0.72 | HSD11B1 (0.39) | TDP1KDM4EALDH1A1GAAHSD17B10 | |
| 1,2-Dichloroethane SCHEMBL27939899 | 0.71 | CES2 (0.52) | PBRM1CES2CES1ITGB2ICAM1 | |
| SCHEMBL4914457 | 0.71 | CES2 (0.52) | PBRM1CES2CES1ITGB2ICAM1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1740551-A1 | HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR | Takeda Pharmaceutical Company Limited (JP) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005105760-A1 | HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-11-10 | — | — | WO | disclosed |