Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.64 |
| ▸ | HTT | P42858 | 2/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.64 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.64 |
| ▸ | MMP1 | P03956 | 1/20 | 0.53 |
| ▸ | MMP3 | P08254 | 1/20 | 0.53 |
| ▸ | MMP7 | P09237 | 1/20 | 0.53 |
| ▸ | BRD4 | O60885 | 1/20 | 0.51 |
| ▸ | MLKL | Q8NB16 | 3/20 | 0.50 |
| ▸ | MMP2 | P08253 | 1/20 | 0.50 |
| ▸ | MMP9 | P14780 | 1/20 | 0.50 |
| ▸ | MMP8 | P22894 | 1/20 | 0.50 |
| ▸ | MMP13 | P45452 | 1/20 | 0.50 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | KIF11 | P52732 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29488677 | 0.89 | ALDH1A1 (0.50) | ALDH1A1HTTKDM4ELMNAL3MBTL1 | |
| SCHEMBL4249669 | 0.87 | KDM4E (0.61) | ALDH1A1HTTKDM4ELMNAL3MBTL1 | |
| SCHEMBL19982680 | 0.82 | MLKL (0.57) | ALDH1A1HTTKDM4ELMNAL3MBTL1 | |
| SCHEMBL24282005 | 0.81 | HTT (0.68) | ALDH1A1HTTKDM4ELMNAL3MBTL1 | |
| SCHEMBL4243540 | 0.80 | HSP90AA1 (0.69) | ALDH1A1HTTKDM4ELMNAL3MBTL1 | |
| SCHEMBL25734548 | 0.79 | ALDH1A1 (0.61) | ALDH1A1HTTKDM4ELMNAL3MBTL1 | |
| SCHEMBL1097139 | 0.78 | HTT (0.64) | ALDH1A1HTTKDM4ELMNAL3MBTL1 | |
| SCHEMBL6217370 | 0.78 | HTT (0.64) | ALDH1A1HTTKDM4ELMNAL3MBTL1 | |
| Hydrochloric Acid SCHEMBL7324046 | 0.78 | HSP90AA1 (0.68) | ALDH1A1HTTKDM4ELMNAL3MBTL1 | |
| SCHEMBL4682076 | 0.78 | ALDH1A1 (0.64) | ALDH1A1HTTKDM4ELMNAL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-118139849-A | Quaternary condensed ring compound and preparation method and application thereof | 江苏豪森药业集团有限公司 | 2024-06-04 | — | — | CN | disclosed |
| WO-2023051681-A1 | FOUR-MEMBERED FUSED RING COMPOUND AND PREPARATION METHOD AND USE THEREOF | 江苏豪森药业集团有限公司 | 2023-04-06 | — | — | WO | disclosed |