Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
| ▸ | CTSG | P08311 | 1/20 | 0.34 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.34 |
| ▸ | CMA1 | P23946 | 1/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | PTGES | O14684 | 2/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.33 |
| ▸ | PPARG | P37231 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MITF | O75030 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28119462 | 0.85 | CA2 (0.33) | PRSS1CTSGCTRB1CMA1CNR2 | |
| Toluene SCHEMBL28838064 | 0.84 | LMNA (0.39) | PRSS1CTSGCTRB1CMA1LTA4H | |
| Chlorobenzene SCHEMBL28119525 | 0.84 | TSHR (0.39) | PRSS1CTSGCTRB1CMA1LTA4H | |
| Phenol SCHEMBL28119460 | 0.81 | ESR1 (0.37) | PRSS1CTSGCTRB1CMA1LTA4H | |
| SCHEMBL8108910 | 0.79 | — | — | |
| Fluorene SCHEMBL27706923 | 0.76 | NPC1 (0.37) | SIGMAR1ALDH1A1CYP3A4KMT2ATP53 | |
| Fluorobenzene SCHEMBL28786001 | 0.75 | CNR2 (0.42) | CNR2PTGESALOX5PPARGALDH1A1 | |
| SCHEMBL8062696 | 0.73 | IDO1 (0.42) | SIGMAR1PPARGKMT2AMEN1SLC6A4 | |
| SCHEMBL11691914 | 0.72 | — | — | |
| SCHEMBL27775693 | 0.71 | LMNA (0.41) | ALDH1A1LMNA |
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-106267226-A | Treat osteosarcomatous triptolide derivant and preparation method thereof | 北京和理咨询有限公司 | 2017-01-04 | — | — | CN | claimed |
| CN-106267226-A | Treat osteosarcomatous triptolide derivant and preparation method thereof | 北京和理咨询有限公司 | 2017-01-04 | — | — | CN | disclosed |