Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHMT2 | P34897 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | MYC | P01106 | 3/20 | 0.40 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8423942 | 0.86 | ALDH1A1 (0.43) | SHMT2GAAALDH1A1L3MBTL1MEN1 | |
| SCHEMBL14559419 | 0.81 | SHMT2 (0.54) | SHMT2GAAALDH1A1L3MBTL1MEN1 | |
| SCHEMBL14559423 | 0.80 | SHMT2 (0.52) | SHMT2GAAALDH1A1L3MBTL1MEN1 | |
| SCHEMBL13931173 | 0.79 | KMT2A (0.59) | GAAALDH1A1L3MBTL1MEN1KMT2A | |
| SCHEMBL6951653 | 0.71 | CD274 (0.62) | SHMT2GAAALDH1A1L3MBTL1KDM4E | |
| SCHEMBL14559417 | 0.71 | SHMT2 (0.77) | SHMT2GAAALDH1A1L3MBTL1MEN1 | |
| SCHEMBL5976250 | 0.70 | SHMT2 (0.62) | SHMT2GAAALDH1A1L3MBTL1MEN1 | |
| SCHEMBL14559428 | 0.69 | SHMT2 (0.43) | SHMT2GAAALDH1A1MEN1KMT2A | |
| SCHEMBL6949830 | 0.69 | SHMT2 (0.60) | SHMT2GAAALDH1A1L3MBTL1MEN1 | |
| SCHEMBL6953514 | 0.68 | SHMT2 (0.58) | SHMT2GAAALDH1A1L3MBTL1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0743304-B1 | 4-(Arylaminomethylene)-2,4-dihydro-pyrazol-3-ones | MERCK PATENT GMBH (DE) | 2003-03-26 | — | — | EP | disclosed |
| US-6034099-A | Method for inhibiting neoplastic lesions by administering 4-(arylmethylene)- 2, 3- dihydro-pyrazol-3-ones | CELL PATHWAYS, INC. (US) | 2000-03-07 | — | — | US | disclosed |
| EP-0743304-A1 | 4-(Arylaminomethylene)-2,4-dihydro-pyrazol-3-ones | MERCK PATENT GmbH (DE) | 1996-11-20 | — | — | EP | disclosed |