Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | NQO2 | P16083 | 4/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | CCR2 | P41597 | 1/20 | 0.39 |
| ▸ | NQO1 | P15559 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | G6PD | P11413 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18000352 | 0.80 | NQO2 (0.50) | HTR2AHTR2CNQO2CYP19A1NQO1 | |
| SCHEMBL21335586 | 0.77 | CCR2 (0.43) | HTR2AHTR2CNQO2CYP19A1CCR2 | |
| SCHEMBL20989881 | 0.76 | CYP1A2 (0.31) | — | |
| SCHEMBL15971081 | 0.73 | KDM4E (0.44) | HTR2AHTR2CNQO2CYP19A1CCR2 | |
| SCHEMBL476672 | 0.73 | HASPIN (0.41) | HTR2AHTR2CNQO2CYP19A1CCR2 | |
| SCHEMBL30211234 | 0.72 | NQO2 (0.43) | HTR2AHTR2CNQO2CYP19A1CCR2 | |
| SCHEMBL20505062 | 0.72 | HASPIN (0.46) | HTR2AHTR2CNQO2CYP19A1CCR2 | |
| SCHEMBL15970972 | 0.72 | KDM4E (0.42) | HTR2AHTR2CNQO2CYP19A1CCR2 | |
| SCHEMBL24136160 | 0.71 | HTR2C (0.39) | HTR2CNQO2CYP19A1CCR2NQO1 | |
| SCHEMBL476682 | 0.70 | HASPIN (0.44) | HTR2AHTR2CNQO2CYP19A1CCR2 |
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-3928836-A1 | N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS | Idorsia Pharmaceuticals Ltd (CH) | 2021-12-29 | — | — | EP | disclosed |