Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 5/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL904194 | 0.82 | NR1H2 (0.42) | BACE1GRM5 | |
| SCHEMBL31548644 | 0.81 | PANK3 (0.47) | DPP4CNR2 | |
| SCHEMBL3086650 | 0.81 | CYP17A1 (0.46) | ALDH1A1KDM4EDPP4TRPV1MAPT | |
| SCHEMBL17841666 | 0.80 | AKR1C3 (0.47) | ALDH1A1KDM4EDPP4MEN1KMT2A | |
| SCHEMBL24707424 | 0.79 | SLC6A2 (0.37) | ALDH1A1KDM4ESMN1; SMN2ACACB | |
| SCHEMBL30856785 | 0.79 | SLC6A2 (0.37) | ALDH1A1KDM4ESMN1; SMN2ACACB | |
| SCHEMBL322198 | 0.79 | KMT2A (0.48) | ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A | |
| SCHEMBL21805774 | 0.75 | P2RX7 (0.49) | ALDH1A1MEN1KMT2AP2RX7TP53 | |
| SCHEMBL11963517 | 0.74 | MEN1 (0.44) | ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A | |
| SCHEMBL24135526 | 0.74 | PARP1 (0.48) | ALDH1A1MEN1KMT2ATSHRCNR2 |
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-2441755-A1 | Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors | Almirall, S.A. (ES) | 2012-04-18 | — | — | EP | disclosed |
| WO-2012041476-A1 | PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS | ALMIRALL, S.A. (ES) | 2012-04-05 | — | — | WO | disclosed |