Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | MMP14 | P50281 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | AKT2 | P31751 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6090504 | 1.00 | ALK (0.41) | ALKMMP2MMP13MMP14MAPT | |
| SCHEMBL6090275 | 0.84 | KDR (0.52) | MAPTALDH1A1SMN1; SMN2KDRCYP2C9 | |
| SCHEMBL6090289 | 0.84 | KDR (0.52) | MAPTALDH1A1SMN1; SMN2KDRCYP2C9 | |
| SCHEMBL6093374 | 0.80 | ALK (0.41) | ALKMMP2MMP13MMP14KDR | |
| SCHEMBL6093367 | 0.80 | ALK (0.41) | ALKMMP2MMP13MMP14KDR | |
| SCHEMBL6091152 | 0.80 | KMT2A (0.43) | ALKMAPTALDH1A1SMN1; SMN2POLB | |
| SCHEMBL6090556 | 0.80 | ADORA2B (0.43) | MAPTALDH1A1SMN1; SMN2POLBKDM4E | |
| SCHEMBL6090551 | 0.80 | ADORA2B (0.43) | MAPTALDH1A1SMN1; SMN2POLBKDM4E | |
| SCHEMBL6091158 | 0.80 | KMT2A (0.43) | ALKMAPTALDH1A1SMN1; SMN2POLB | |
| SCHEMBL6091564 | 0.80 | JMJD6 (0.34) | ALDH1A1SMN1; SMN2KDRKDM4ECYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7060822-B1 | 2-pyrazolin-5-ones | ABBOTT GMBH & CO. KG (DE) | 2006-06-13 | — | — | US | disclosed |