Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CCR5 | P51681 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27491210 | 0.93 | PTGDR2 (0.42) | PTGDR2ABCB11LMNAPTGS1ADORA1 | |
| SCHEMBL27901473 | 0.84 | CCR5 (0.39) | PTGDR2KDM4EGLACYP2A6CYP1A2 | |
| SCHEMBL27679917 | 0.80 | ALDH1A1 (0.43) | KDM4EMEN1KMT2ACYP1A2ALDH1A1 | |
| SCHEMBL3390800 | 0.80 | CYP2A6 (0.48) | PTGDR2KDM4ECYP2A6MEN1KMT2A | |
| SCHEMBL30498496 | 0.79 | KDM4E (0.53) | PTGDR2ABCB11LMNAPTGS1ADORA1 | |
| SCHEMBL28198627 | 0.79 | KDM4E (0.48) | PTGDR2ABCB11LMNAPTGS1ADORA1 | |
| SCHEMBL2558202 | 0.79 | KDM4E (0.53) | PTGDR2ABCB11LMNAPTGS1ADORA1 | |
| SCHEMBL4942619 | 0.79 | PTGDR2 (0.44) | PTGDR2ABCB11LMNAPTGS1ADORA1 | |
| SCHEMBL10479066 | 0.79 | PTGDR2 (0.42) | PTGDR2ABCB11LMNAPTGS1ADORA1 | |
| SCHEMBL29710650 | 0.79 | PTGDR2 (0.42) | PTGDR2ABCB11LMNAPTGS1ADORA1 |
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-103649049-B | For 3-(biphenyl-3-base)-8,8-two fluoro-hydroxyl-1-azaspiro [4.5]-3-in the last of the ten Heavenly stems alkene-2-ketone being replaced treated and the spirocyclic ketoenols being optionally substituted by halogen | 拜耳知识产权有限责任公司 | 2016-06-29 | — | — | CN | disclosed |