Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR9 | P51686 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CCR2 | P41597 | 1/20 | 0.36 |
| ▸ | OXER1 | Q8TDS5 | 2/20 | 0.36 |
| ▸ | KMO | O15229 | 1/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | FPR2 | P25090 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | PTGFR | P43088 | 1/20 | 0.33 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.33 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.33 |
| ▸ | PTGIR | P43119 | 1/20 | 0.33 |
| ▸ | PTGDR | Q13258 | 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 | |
|---|---|---|---|---|
| SCHEMBL17907937 | 1.00 | CCR9 (0.42) | CCR9KDM4EALDH1A1CCR2OXER1 | |
| SCHEMBL17907951 | 0.91 | TDP1 (0.41) | KDM4EALDH1A1CCR2CACNA1BHPGD | |
| SCHEMBL17907953 | 0.91 | TDP1 (0.41) | KDM4EALDH1A1CCR2CACNA1BHPGD | |
| SCHEMBL17907945 | 0.88 | ALDH1A1 (0.37) | KDM4EALDH1A1CCR2CACNA1BSMN1; SMN2 | |
| SCHEMBL17907944 | 0.88 | ALDH1A1 (0.37) | KDM4EALDH1A1CCR2CACNA1BSMN1; SMN2 | |
| SCHEMBL17907946 | 0.86 | PDE5A (0.40) | KDM4EALDH1A1CCR2KMOCACNA1B | |
| SCHEMBL17907948 | 0.86 | PDE5A (0.40) | KDM4EALDH1A1CCR2KMOCACNA1B | |
| SCHEMBL3553083 | 0.85 | KDM4E (0.46) | KDM4EALDH1A1CCR2CACNA1B | |
| SCHEMBL3553079 | 0.85 | KDM4E (0.46) | KDM4EALDH1A1CCR2CACNA1B | |
| SCHEMBL26913285 | 0.81 | KDM4E (0.33) | KDM4EALDH1A1CACNA1BSMN1; SMN2TBXA2R |
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 |