Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 1/20 | 0.60 |
| ▸ | MMP9 | P14780 | 1/20 | 0.60 |
| ▸ | MMP8 | P22894 | 1/20 | 0.60 |
| ▸ | MMP13 | P45452 | 1/20 | 0.60 |
| ▸ | AMY1A | P0DUB6 | 3/20 | 0.40 |
| ▸ | ILK | Q13418 | 1/20 | 0.39 |
| ▸ | TNKS | O95271 | 1/20 | 0.38 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.38 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.38 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.37 |
| ▸ | HNF4A | P41235 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | MITF | O75030 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14664340 | 0.87 | MMP2 (0.57) | MMP2MMP9MMP8MMP13SLC2A1 | |
| SCHEMBL12713529 | 0.84 | MMP2 (0.64) | MMP2MMP9MMP8MMP13SLC2A1 | |
| SCHEMBL1609480 | 0.81 | MMP2 (0.64) | MMP2MMP9MMP8MMP13TNKS | |
| SCHEMBL10694677 | 0.76 | MMP2 (1.00) | MMP2MMP9MMP8MMP13NPC1 | |
| SCHEMBL9044504 | 0.76 | GUSB (0.56) | AMY1AALDH1A1TDP1GUSB | |
| SCHEMBL28027631 | 0.69 | TNKS (0.54) | AMY1ATNKSTNKS2PARP2NPC1 | |
| SCHEMBL10691037 | 0.69 | MMP2 (0.68) | MMP2MMP9MMP8MMP13SLC2A1 | |
| SCHEMBL10688373 | 0.69 | MMP2 (0.68) | MMP2MMP9MMP8MMP13AMY1A | |
| SCHEMBL30360160 | 0.69 | MMP2 (0.68) | MMP2MMP9MMP8MMP13AMY1A | |
| SCHEMBL4420447 | 0.68 | NQO2 (0.46) | AMY1ANPC1RAB9ATP53SMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9617249-B2 | Benzoheterocyclic anti-bacterial agents | UNIVERSITY OF NOTRE DAME DU LAC (US) | 2017-04-11 | — | — | US | disclosed |
| US-9617249-B2 | Benzoheterocyclic anti-bacterial agents | UNIVERSITY OF NOTRE DAME DU LAC (US) | 2017-04-11 | — | — | US | disclosed |
| US-8362268-B2 | Anti-bacterial agents from benzo[d]heterocyclic scaffolds for prevention and treatment of multidrug resistant bacteria | UNIVERSITY OF NOTRE DAME DU LAC (US) | 2013-01-29 | — | — | US | disclosed |
| US-8362268-B2 | Anti-bacterial agents from benzo[d]heterocyclic scaffolds for prevention and treatment of multidrug resistant bacteria | UNIVERSITY OF NOTRE DAME DU LAC (US) | 2013-01-29 | — | — | US | disclosed |