Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | AHR | P35869 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | DHPS | P49366 | 2/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.39 |
| ▸ | TUBB | P07437 | 1/20 | 0.39 |
| ▸ | TUBA3C | P0DPH7 | 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 | |
|---|---|---|---|---|
| SCHEMBL26495 | 0.84 | AHR (0.56) | KDM4EALDH1A1LMNACYP1A2CYP3A4 | |
| SCHEMBL29363007 | 0.84 | AHR (0.56) | KDM4EALDH1A1LMNACYP1A2CYP3A4 | |
| SCHEMBL9232128 | 0.84 | AHR (0.56) | KDM4EALDH1A1LMNACYP1A2CYP3A4 | |
| Trifluoroacetic Acid SCHEMBL2039025 | 0.82 | MAPK1 (0.47) | KDM4EHPGDAHRMAPK1DHPS | |
| SCHEMBL25177318 | 0.82 | AHR (0.54) | KDM4EALDH1A1LMNACYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL8356509 | 0.82 | AHR (0.54) | KDM4EALDH1A1LMNACYP1A2CYP3A4 | |
| Iodide SCHEMBL30373944 | 0.82 | AHR (0.54) | KDM4EALDH1A1LMNACYP1A2CYP3A4 | |
| Fumaric Acid SCHEMBL29504141 | 0.81 | ALDH1A1 (0.47) | KDM4EALDH1A1LMNACYP1A2CYP3A4 | |
| Trifluoroacetic Acid SCHEMBL15228899 | 0.76 | PARP1 (0.43) | KDM4EALDH1A1LMNACYP1A2CYP3A4 | |
| Indole SCHEMBL30407994 | 0.74 | TRPA1 (0.63) | KDM4EALDH1A1HPGDRAB9AHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2044051-B1 | PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS | BIOVITRUM AB PUBL (SE) | 2010-01-27 | — | — | EP | disclosed |