Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | RAD52 | P43351 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.33 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 2/20 | 0.33 |
| ▸ | RET | P07949 | 2/20 | 0.33 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.33 |
| ▸ | FLT1 | P17948 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15331650 | 0.77 | MAPK1 (0.52) | ALDH1A1KMT2APOLBSMN1; SMN2MAPK1 | |
| SCHEMBL6090033 | 0.76 | NPSR1 (0.44) | ALDH1A1RAD52SMN1; SMN2MAPK1NPSR1 | |
| SCHEMBL1981272 | 0.76 | KDR (0.51) | CHEK1PRKAA1AURKARETFGFR1 | |
| SCHEMBL6673031 | 0.75 | MAPK1 (0.57) | ALDH1A1KMT2ASMN1; SMN2MAPK1NPSR1 | |
| SCHEMBL6740330 | 0.74 | FGFR1 (0.44) | CHEK1PRKAA1AURKARETFGFR1 | |
| SCHEMBL13982843 | 0.74 | NPSR1 (0.43) | ALDH1A1RAD52SMN1; SMN2MAPK1NPSR1 | |
| SCHEMBL6273007 | 0.73 | ALDH1A1 (0.45) | ALDH1A1KMT2APOLBSMN1; SMN2MAPK1 | |
| SCHEMBL29951966 | 0.72 | CHEK1 (0.37) | ALDH1A1KMT2APOLBSMN1; SMN2CHEK1 | |
| SCHEMBL5401557 | 0.71 | KDM4E (0.44) | ALDH1A1KMT2APOLBCHEK1CYP1A2 | |
| SCHEMBL6744702 | 0.70 | HTR6 (0.42) | CHEK1PRKAA1AURKARETFGFR1 |
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 3 patents. 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 |
| 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 |