Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | TACR2 | P21452 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SHBG | P04278 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19909082 | 0.90 | TDP1 (0.50) | TDP1L3MBTL1PTGS2CYP3A4ESR1 | |
| SCHEMBL20937692 | 0.90 | TDP1 (0.50) | TDP1L3MBTL1PTGS2CYP3A4ESR1 | |
| SCHEMBL19909258 | 0.90 | TDP1 (0.50) | TDP1L3MBTL1PTGS2CYP3A4ESR1 | |
| SCHEMBL19909213 | 0.88 | TDP1 (0.52) | TDP1L3MBTL1PTGS2CYP3A4GPR84 | |
| SCHEMBL9921224 | 0.83 | TDP1 (0.44) | TDP1L3MBTL1CYP3A4TP53 | |
| SCHEMBL4410512 | 0.83 | NOS1 (0.42) | TDP1L3MBTL1CYP3A4 | |
| SCHEMBL27563659 | 0.79 | TDP1 (0.57) | TDP1L3MBTL1PTGS2CYP3A4GPR84 | |
| SCHEMBL27733869 | 0.77 | TDP1 (0.59) | TDP1L3MBTL1PTGS2CYP3A4GPR84 | |
| SCHEMBL2922984 | 0.76 | TDP1 (0.46) | TDP1L3MBTL1PTGS2CYP3A4GPR84 | |
| SCHEMBL4289948 | 0.75 | TKT (0.44) | CYP3A4 |
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-108884058-A | MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS | 阿奇克斯制药公司 | 2018-11-23 | — | — | CN | disclosed |