Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6701818 | 0.95 | TDP1 (0.39) | ALDH1A1TDP1PDE4AADORA2AADORA2B | |
| SCHEMBL23930932 | 0.82 | CYP11B1 (0.51) | ALDH1A1TDP1L3MBTL1POLBCYP1A2 | |
| SCHEMBL9819383 | 0.82 | ALDH1A1 (0.44) | ALDH1A1TDP1L3MBTL1LMNACYP1A2 | |
| SCHEMBL1422382 | 0.81 | ALDH1A1 (0.36) | ALDH1A1TDP1HCAR3KDM4CCYP11B1 | |
| SCHEMBL27922993 | 0.79 | ADORA2A (0.40) | ALDH1A1TDP1PDE4AADORA2AADORA2B | |
| SCHEMBL5726023 | 0.78 | CYP11B1 (0.50) | TDP1KMT2ACYP1A2KDM4EMEN1 | |
| SCHEMBL15202361 | 0.76 | GABRA1 (0.47) | ALDH1A1LMNACYP1A2CYP3A4NFKB1 | |
| SCHEMBL8799103 | 0.76 | CYP11B1 (0.49) | TDP1KMT2ALMNACYP1A2KDM4E | |
| SCHEMBL5514651 | 0.76 | HTT (0.47) | ALDH1A1POLBKDM4ETSHRCYP11B1 | |
| SCHEMBL5105361 | 0.75 | PDE4A (0.35) | PDE4AADORA2AADORA2BPDE4BPDE4C |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021215545-A1 | ANTICANCER COMBINATION THERAPY WITH N-(1-ACRYLOYL-AZETIDIN-3-YL)-2-((1H-INDAZOL-3-YL)AMINO)METHYL)-1H-IMIDAZOLE-5-CARBOXAMIDE INHIBITOR OF KRAS-G12C | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 2021-10-28 | — | — | WO | disclosed |
| CN-103003262-A | Nitrogenated aromatic heterocyclic ring derivative | KYOWA HAKKO KIRIN CO LTD | 2013-03-27 | — | — | CN | disclosed |