Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 8/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | MDM4 | O15151 | 1/20 | 0.41 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | THRB | P10828 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8423662 | 1.00 | KMT2A (0.42) | KMT2AALDH1A1TSHRPOLBL3MBTL1 | |
| SCHEMBL9023690 | 0.95 | ALDH1A1 (0.46) | KMT2AALDH1A1TSHRPOLBL3MBTL1 | |
| SCHEMBL6949903 | 0.95 | ALDH1A1 (0.46) | KMT2AALDH1A1TSHRPOLBL3MBTL1 | |
| SCHEMBL8423667 | 0.86 | KMT2A (0.44) | KMT2AALDH1A1TSHRPOLBL3MBTL1 | |
| SCHEMBL8427561 | 0.84 | PTGS2 (0.56) | KMT2AALDH1A1POLBL3MBTL1MDM4 | |
| SCHEMBL8427560 | 0.84 | PTGS2 (0.56) | KMT2AALDH1A1POLBL3MBTL1MDM4 | |
| SCHEMBL9525776 | 0.83 | ALDH1A1 (0.53) | KMT2AALDH1A1POLBL3MBTL1MDM4 | |
| SCHEMBL8425490 | 0.83 | GAA (0.43) | KMT2AALDH1A1TSHRPOLBL3MBTL1 | |
| SCHEMBL8425491 | 0.83 | GAA (0.43) | KMT2AALDH1A1TSHRPOLBL3MBTL1 | |
| SCHEMBL8428159 | 0.82 | PTGS2 (0.46) | KMT2AALDH1A1POLBL3MBTL1MDM4 |
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-5869516-A | 4-(arylaminomethylene)-2,4-dihydro-3-pyrazolones | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1999-02-09 | — | — | US | disclosed |