Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.48 |
| ▸ | ESR1 | P03372 | 2/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.48 |
| ▸ | TACR2 | P21452 | 2/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | SHBG | P04278 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.48 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8732532 | 1.00 | PTGS2 (0.59) | PTGS2CYP3A4GPR84ESR1ADRA2A | |
| SCHEMBL10413818 | 1.00 | PTGS2 (0.59) | PTGS2CYP3A4GPR84ESR1ADRA2A | |
| SCHEMBL10413816 | 1.00 | PTGS2 (0.59) | PTGS2CYP3A4GPR84ESR1ADRA2A | |
| SCHEMBL28072148 | 1.00 | PTGS2 (0.59) | PTGS2CYP3A4GPR84ESR1ADRA2A | |
| Water SCHEMBL11873670 | 0.98 | PTGS2 (0.57) | PTGS2CYP3A4GPR84ESR1ADRA2A | |
| SCHEMBL19382277 | 0.98 | PTGS2 (0.58) | PTGS2CYP3A4GPR84ESR1ADRA2A | |
| SCHEMBL10636170 | 0.95 | PTGS2 (0.59) | PTGS2CYP3A4GPR84ESR1ADRA2A | |
| SCHEMBL11793154 | 0.90 | HPGD (0.58) | PTGS2CYP3A4GPR84ALDH1A1TP53 | |
| SCHEMBL8100036 | 0.90 | PTGS2 (0.44) | PTGS2CYP3A4ALDH1A1NPC1HPGD | |
| SCHEMBL8086884 | 0.90 | PTGS2 (0.44) | PTGS2CYP3A4ALDH1A1NPC1HPGD |
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 5 patents. 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 |
| CN-107698445-A | A kind of method for preparing the more formic acid analog derivatives of aromatic hydrocarbons | 朱翠英 | 2018-02-16 | — | — | CN | disclosed |
| CN-107698436-A | Method for preparing aromatic polycarboxylic acid derivative | 朱翠英 | 2018-02-16 | — | — | CN | disclosed |
| CN-107698437-A | A kind of method for preparing the more formic acid analog derivatives of aromatic hydrocarbons | 朱翠英 | 2018-02-16 | — | — | CN | disclosed |
| CN-107698438-A | A kind of method for preparing the more formic acid analog derivatives of aromatic hydrocarbons | 朱翠英 | 2018-02-16 | — | — | CN | disclosed |