Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.35 |
| ▸ | MEN1 | O00255 | 4/20 | 0.35 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.34 |
| ▸ | TACR1 | P25103 | 4/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6090458 | 1.00 | ALDH1A1 (0.39) | ALDH1A1KDM4EPKMEGFRSRC | |
| SCHEMBL6092216 | 0.90 | EGFR (0.40) | ALDH1A1KDM4EPKMEGFRSRC | |
| SCHEMBL6092220 | 0.90 | EGFR (0.40) | ALDH1A1KDM4EPKMEGFRSRC | |
| SCHEMBL6089873 | 0.88 | KDM4E (0.38) | ALDH1A1KDM4EPKMEGFRSRC | |
| SCHEMBL6089863 | 0.88 | KDM4E (0.38) | ALDH1A1KDM4EPKMEGFRSRC | |
| SCHEMBL6091729 | 0.84 | KDM4E (0.44) | ALDH1A1KDM4EPKMEGFRSRC | |
| SCHEMBL6091733 | 0.84 | KDM4E (0.44) | ALDH1A1KDM4EPKMEGFRSRC | |
| SCHEMBL6088039 | 0.84 | KDM4E (0.38) | ALDH1A1KDM4EPKMEGFRSRC | |
| SCHEMBL6088036 | 0.84 | KDM4E (0.38) | ALDH1A1KDM4EPKMEGFRSRC | |
| SCHEMBL6089917 | 0.83 | ALK (0.38) | ALDH1A1KDM4EPKMEGFRSRC |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1218373-A2 | 2-PYRAZOLIN-5-ONES AS TYROSINE KINASE INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2002-07-03 | — | — | EP | claimed |
| WO-2001009121-A2 | 2-PYRAZOLIN-5-ONES_AS TYROSINE KINASE INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2001-02-08 | — | — | WO | claimed |
| US-7060822-B1 | 2-pyrazolin-5-ones | ABBOTT GMBH & CO. KG (DE) | 2006-06-13 | — | — | US | disclosed |
| EP-1218373-A2 | 2-PYRAZOLIN-5-ONES AS TYROSINE KINASE INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2002-07-03 | — | — | EP | disclosed |
| WO-2001009121-A2 | 2-PYRAZOLIN-5-ONES_AS TYROSINE KINASE INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2001-02-08 | — | — | WO | disclosed |