Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.33 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5985980 | 0.76 | MAPT (0.57) | CYP2A6CYP1A2RXFP1MAPTKDM4E | |
| SCHEMBL29769204 | 0.76 | MAPT (0.57) | CYP2A6CYP1A2RXFP1MAPTKDM4E | |
| SCHEMBL26435742 | 0.74 | CYP1A2 (0.44) | CYP2A6CYP1A2RXFP1MAPTKDM4E | |
| SCHEMBL27686463 | 0.74 | CYP2A6 (0.44) | CYP2A6CYP1A2RXFP1MAPTKDM4E | |
| SCHEMBL9581147 | 0.71 | KMT2A (0.47) | CYP2A6CYP1A2RXFP1MAPTKDM4E | |
| SCHEMBL16452868 | 0.71 | CYP2A6 (0.41) | CYP2A6CYP1A2RXFP1MAPTKDM4E | |
| SCHEMBL9267750 | 0.70 | POLB (0.46) | RXFP1MAPTKDM4ENPC1RAB9A | |
| SCHEMBL27995207 | 0.70 | HTR2A (0.47) | CYP2A6CYP1A2RXFP1MAPTKDM4E | |
| SCHEMBL28910320 | 0.69 | CYP2A6 (0.41) | CYP2A6CYP1A2RXFP1MAPTKDM4E | |
| SCHEMBL11723689 | 0.68 | ALDH1A1 (0.44) | CYP2A6MAPTKDM4EALDH1A1NPC1 |
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-108349949-A | N- substituted indole derivatives as PGE2 receptor modulators | 爱杜西亚药品有限公司 | 2018-07-31 | — | — | CN | disclosed |