Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TRPV4 | Q9HBA0 | 6/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.33 |
| ▸ | TUBB | P07437 | 1/20 | 0.33 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.33 |
| ▸ | STAT3 | P40763 | 1/20 | 0.33 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.33 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.33 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.33 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.33 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.33 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.33 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.33 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.33 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.33 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.33 |
| ▸ | TUBB2B | Q9BVA1 | 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 | |
|---|---|---|---|---|
| SCHEMBL13031895 | 0.86 | ALDH1A1 (0.34) | ALDH1A1TRPV4HDAC1HDAC2HDAC6 | |
| SCHEMBL3483666 | 0.83 | TRPV4 (0.33) | ALDH1A1TRPV4HDAC1HDAC2HDAC6 | |
| SCHEMBL3483497 | 0.79 | TRPV4 (0.33) | TRPV4HDAC1HDAC2TUBB4ATUBB | |
| SCHEMBL16667223 | 0.76 | ALDH1A1 (0.43) | ALDH1A1HDAC1HDAC2HDAC6 | |
| SCHEMBL16684160 | 0.75 | BLM (0.36) | SLC22A12 | |
| SCHEMBL16667229 | 0.75 | ALDH1A1 (0.41) | ALDH1A1HDAC1HDAC2HDAC6 | |
| SCHEMBL14943088 | 0.73 | TRPV4 (0.37) | TRPV4SLC22A12 | |
| SCHEMBL16667208 | 0.72 | HDAC1 (0.39) | ALDH1A1HDAC1HDAC2HDAC6 | |
| SCHEMBL3483257 | 0.71 | BLM (0.35) | SLC22A12 | |
| SCHEMBL16667214 | 0.70 | HDAC1 (0.38) | ALDH1A1HDAC1HDAC2HDAC6 |
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-2049200-A2 | NOVEL INHIBITORS OF BETA-LACTAMASE | MethylGene Inc. (CA) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008073142-A2 | NOVEL INHIBITORS OF BETA-LACTAMASE | MERCK & CO., INC. (US) | 2008-06-19 | — | — | WO | disclosed |