Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 7/20 | 0.44 |
| ▸ | KDM1B | Q8NB78 | 2/20 | 0.44 |
| ▸ | GPR119 | Q8TDV5 | 6/20 | 0.42 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.42 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.42 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | GRM5 | P41594 | 4/20 | 0.41 |
| ▸ | GRM1 | Q13255 | 4/20 | 0.41 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.39 |
| ▸ | TUBB | P07437 | 1/20 | 0.39 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.39 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.39 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.39 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.39 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.39 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.39 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.39 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.39 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6529845 | 0.91 | GPR119 (0.46) | KDM1AKDM1BGPR119SMARCA2SMARCA4 | |
| SCHEMBL6532725 | 0.84 | TYR (0.39) | — | |
| SCHEMBL6529525 | 0.83 | GRM1 (0.55) | GPR119GRM5GRM1 | |
| SCHEMBL6532434 | 0.82 | TYR (0.38) | — | |
| SCHEMBL6530629 | 0.79 | TYR (0.34) | — | |
| SCHEMBL6510881 | 0.78 | CA1 (0.43) | KDM1AKDM1BGPR119GRM5GRM1 | |
| SCHEMBL6533967 | 0.76 | ADRA1D (0.42) | GRM5 | |
| SCHEMBL21528011 | 0.73 | GPR119 (0.56) | GPR119SMARCA2SMARCA4PBRM1 | |
| SCHEMBL29879587 | 0.71 | SMARCA2 (0.43) | SMARCA2SMARCA4PBRM1PDK2 | |
| SCHEMBL6527396 | 0.71 | ADRA1D (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005082892-A2 | TRIAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DR. REDDY'S LABORATORIES LTD. (IN) | 2005-09-09 | — | — | WO | disclosed |