Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 4/20 | 0.58 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.48 |
| ▸ | MMP13 | P45452 | 3/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.47 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.47 |
| ▸ | CFD | P00746 | 1/20 | 0.46 |
| ▸ | RPA1 | P27694 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.45 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL15428860 | 0.90 | KDM4E (0.53) | POLBCHRM3KDM4ESMN1; SMN2MMP13 | |
| SCHEMBL1318756 | 0.86 | NR1H4 (0.55) | KDM4ESMN1; SMN2LMNAMMP13EPHX2 | |
| SCHEMBL15428857 | 0.86 | CHRM3 (0.54) | POLBCHRM3LMNAMMP13EPHX2 | |
| SCHEMBL15428864 | 0.84 | MMP13 (0.65) | CHRM3LMNAMMP13ROCK2ROCK1 | |
| SCHEMBL15428881 | 0.83 | PPARG (0.49) | LMNAMMP13EPHX2NR1H4CFD | |
| SCHEMBL1317689 | 0.83 | CHRM3 (0.58) | POLBCHRM3KDM4ESMN1; SMN2LMNA | |
| SCHEMBL15428856 | 0.83 | NR1H4 (0.60) | KDM4ESMN1; SMN2MMP13EPHX2NR1H4 | |
| SCHEMBL7918709 | 0.82 | MMP13 (0.63) | POLBCHRM3MMP13 | |
| SCHEMBL1316491 | 0.82 | MMP13 (0.63) | POLBCHRM3MMP13 | |
| SCHEMBL15428849 | 0.82 | MMP13 (0.54) | POLBSMN1; SMN2LMNATP53MMP13 |
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-8637550-B2 | Heteroaryl diamide compounds useful as MMP-13 inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-01-28 | — | — | US | disclosed |