Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 1/20 | 0.52 |
| ▸ | PDE9A | O76083 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 3/20 | 0.42 |
| ▸ | MPL | P40238 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.39 |
| ▸ | METAP2 | P50579 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.38 |
| ▸ | RXRB | P28702 | 1/20 | 0.38 |
| ▸ | RXRG | P48443 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17907971 | 1.00 | PDE5A (0.52) | PDE5APDE9AESR1MPLALDH1A1 | |
| SCHEMBL15466233 | 0.81 | TDO2 (0.52) | ESR1ALDH1A1KDM4EHPGD | |
| SCHEMBL15466232 | 0.81 | TDO2 (0.52) | ESR1ALDH1A1KDM4EHPGD | |
| SCHEMBL25510443 | 0.79 | CYP2A6 (0.53) | MPLKDM4EMETAP2KIF11 | |
| SCHEMBL28850023 | 0.78 | NPBWR1 (0.43) | METAP2KIF11 | |
| SCHEMBL15466242 | 0.78 | ALOX15 (0.50) | ESR1 | |
| SCHEMBL20495245 | 0.78 | HRH4 (0.41) | — | |
| SCHEMBL15466243 | 0.78 | ALOX15 (0.50) | ESR1 | |
| SCHEMBL23964236 | 0.75 | METAP2 (0.45) | METAP2KIF11 | |
| SCHEMBL245110 | 0.75 | CYP2A6 (0.58) | ESR1KDM4ECYP1A2HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-2697223-B1 | 7-(HETEROARYL-AMINO)-6,7,8,9-TETRAHYDROPYRIDO[1,2-A]INDOL ACETIC ACID DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS | ACTELION PHARMACEUTICALS LTD (CH) | 2016-07-13 | — | — | EP | disclosed |