Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHMT2 | P34897 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 5/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | MAPT | P10636 | 6/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6516786 | 0.90 | SHMT2 (0.49) | SHMT2GAAKMT2AMEN1ALDH1A1 | |
| SCHEMBL6474023 | 0.90 | SHMT2 (0.49) | SHMT2GAAKMT2AMEN1ALDH1A1 | |
| SCHEMBL8423717 | 0.85 | GAA (0.43) | SHMT2GAAKMT2AMEN1ALDH1A1 | |
| SCHEMBL6951753 | 0.85 | SHMT2 (0.52) | SHMT2GAAKMT2AMEN1ALDH1A1 | |
| SCHEMBL13597544 | 0.83 | SHMT2 (0.46) | SHMT2GAAKMT2AMEN1ALDH1A1 | |
| SCHEMBL5976250 | 0.83 | SHMT2 (0.62) | SHMT2GAAKMT2AMEN1ALDH1A1 | |
| SCHEMBL6948640 | 0.81 | SHMT2 (0.48) | SHMT2GAAKMT2AMEN1ALDH1A1 | |
| SCHEMBL5976498 | 0.80 | SHMT2 (0.59) | SHMT2GAAKMT2AMEN1ALDH1A1 | |
| SCHEMBL5975717 | 0.80 | SHMT2 (0.59) | SHMT2GAAKMT2AMEN1ALDH1A1 | |
| SCHEMBL5975777 | 0.80 | KMT2A (0.60) | SHMT2GAAKMT2AMEN1ALDH1A1 |
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 |