Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13330639 | 0.76 | MMP2 (0.31) | ALDH1A1KDM4EPOLBCYP1A2CCR1 | |
| SCHEMBL20937448 | 0.71 | CA12 (0.36) | CA12CA1CA2CA9 | |
| SCHEMBL18572160 | 0.69 | CA12 (0.38) | CA12CA1CA2CA9 | |
| SCHEMBL10694098 | 0.68 | FDPS (0.34) | CA12CA1CA2CA9 | |
| SCHEMBL8237320 | 0.68 | HTR2C (0.41) | ALDH1A1MEN1KMT2AHPGDCYP1A2 | |
| SCHEMBL11012244 | 0.67 | POLB (0.31) | POLBSMN1; SMN2 | |
| SCHEMBL7300235 | 0.67 | CA12 (0.43) | NPC1ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL31425525 | 0.67 | NOS3 (0.34) | NOS3NOS2 | |
| SCHEMBL18572159 | 0.66 | CA12 (0.35) | CA12CA1CA2CA9HIF1A | |
| SCHEMBL18571779 | 0.66 | — | — |
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-2022237825-A1 | AZAARYL DERIVATIVE WITH EGFR INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海和誉生物医药科技有限公司 | 2022-11-17 | — | — | WO | disclosed |