Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18030861 | 0.96 | KDM4E (0.34) | KDM4EALDH1A1PKMTHRBPOLB | |
| SCHEMBL19750604 | 0.94 | KDM4E (0.38) | KDM4EALDH1A1PKMTHRBPOLB | |
| SCHEMBL22932016 | 0.88 | THRB (0.37) | KDM4EALDH1A1PKMTHRBPOLB | |
| SCHEMBL22932013 | 0.88 | THRB (0.37) | KDM4EALDH1A1PKMTHRBPOLB | |
| SCHEMBL5371704 | 0.79 | — | — | |
| SCHEMBL13113556 | 0.78 | POLB (0.46) | KDM4EALDH1A1POLBKMT2AL3MBTL1 | |
| SCHEMBL7796111 | 0.78 | TSHR (0.44) | KDM4EALDH1A1THRBPOLBKMT2A | |
| SCHEMBL968556 | 0.75 | USP2 (0.44) | KDM4EALDH1A1THRBPOLBKMT2A | |
| SCHEMBL18889300 | 0.75 | USP2 (0.44) | KDM4EALDH1A1THRBPOLBKMT2A | |
| SCHEMBL11932518 | 0.75 | KDM4E (0.39) | KDM4EALDH1A1PKMKMT2AL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021018858-A1 | 6,7-DIHYDRO-5H-PYRIDO[2,3-C]PYRIDAZINE DERIVATIVES AND RELATED COMPOUNDS AS BCL-XL PROTEIN INHIBITORS AND PRO-APOPTOTIC AGENTS FOR TREATING CANCER | LES LABORATOIRES SERVIER (FR) | 2021-02-04 | — | — | WO | disclosed |