Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | KDM5A | P29375 | 2/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.30 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| SCHEMBL11747703 | 0.75 | — | — | |
| SCHEMBL922919 | 0.72 | — | — | |
| Water SCHEMBL27855960 | 0.71 | — | — | |
| SCHEMBL2826865 | 0.69 | ALOX15 (0.41) | SMN1; SMN2CYP1A2ALOX15HCAR2KDM4E | |
| SCHEMBL13375033 | 0.69 | NPC1 (0.41) | SMN1; SMN2CYP1A2ALOX15HCAR2ALDH1A1 | |
| SCHEMBL2325777 | 0.68 | KDM6B (0.41) | ALDH1A1KDM4ELMNAHPGDPOLB | |
| SCHEMBL9125217 | 0.68 | BRD4 (0.39) | SMN1; SMN2CYP1A2ALOX15HCAR2KDM4E | |
| SCHEMBL10463584 | 0.68 | ALOX15 (0.33) | SMN1; SMN2CYP1A2ALOX15HCAR2LMNA | |
| SCHEMBL392004 | 0.67 | — | — | |
| SCHEMBL10275853 | 0.67 | PARP1 (0.44) | SMN1; SMN2CYP1A2ALOX15HCAR2RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-114539221-A | Deuterated 2-heteroaromatic-3-oxo-2, 3-dihydropyridazine-4-formamide inhibitor as well as preparation method and application thereof | 苏州泽璟生物制药股份有限公司 | 2022-05-27 | — | — | CN | disclosed |