Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR5A | P47898 | 2/20 | 0.44 |
| ▸ | CMA1 | P23946 | 2/20 | 0.43 |
| ▸ | AHR | P35869 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TDP2 | O95551 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL787514 | 0.88 | HTR5A (0.36) | HTR5ACMA1AHRKMT2AMEN1 | |
| SCHEMBL8018199 | 0.86 | HTR5A (0.44) | HTR5AAHRKMT2AMEN1NPC1 | |
| SCHEMBL30015960 | 0.80 | CMA1 (0.68) | CMA1AHRKMT2AMEN1CA9 | |
| SCHEMBL29134878 | 0.80 | CMA1 (0.68) | CMA1AHRKMT2AMEN1CA9 | |
| SCHEMBL260027 | 0.79 | AHR (0.61) | HTR5ACMA1AHRKMT2AMEN1 | |
| SCHEMBL30648196 | 0.79 | AHR (0.61) | HTR5ACMA1AHRKMT2AMEN1 | |
| SCHEMBL15424346 | 0.79 | CA9 (0.64) | CMA1AHRKMT2AMEN1KDM4E | |
| SCHEMBL13002462 | 0.79 | MMP12 (0.47) | HTR5ACMA1AHRKMT2AMEN1 | |
| SCHEMBL3764909 | 0.78 | AHR (0.38) | CMA1AHRLMNACA9EIF2AK2 | |
| SCHEMBL7717893 | 0.78 | AHR (0.59) | HTR5ACMA1AHRKMT2AMEN1 |
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-2250157-B1 | NOVEL HETEROCYCLIC COMPOUNDS | PANACEA BIOTEC LTD (IN) | 2014-11-05 | — | — | EP | disclosed |
| WO-2009093269-A1 | NOVEL HETEROCYCLIC COMPOUNDS | PANACEA BIOTEC LIMITED (IN) | 2009-07-30 | — | — | WO | disclosed |