Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ERN1 | O75460 | 3/20 | 0.38 |
| ▸ | TPMT | P51580 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | TDO2 | P48775 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1852012 | 0.86 | ERN1 (0.32) | ERN1 | |
| SCHEMBL169020 | 0.79 | ACP3 (0.43) | TSHR | |
| SCHEMBL10350505 | 0.77 | S1PR2 (0.33) | — | |
| SCHEMBL1920603 | 0.77 | HCAR2 (0.37) | — | |
| SCHEMBL5725302 | 0.76 | TSHR (0.38) | TSHRTP53CYP3A4IDO1TDO2 | |
| SCHEMBL118609 | 0.76 | HSD17B10 (0.42) | TSHRTP53IDO1TDO2 | |
| SCHEMBL3979239 | 0.76 | ERN1 (0.39) | TSHRERN1CYP3A4 | |
| SCHEMBL4009249 | 0.76 | ALDH1A1 (0.41) | TSHRCYP3A4 | |
| SCHEMBL17431765 | 0.75 | TSHR (0.42) | TSHRERN1TPMTTP53CYP3A4 | |
| SCHEMBL3402042 | 0.73 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3836919-A1 | 1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOLE DERIVATIVE COMPOUNDS AND USES THEREOF | Recreo Pharmaceuticals Inc. (US) | 2021-06-23 | — | — | EP | disclosed |
| WO-2020037155-A1 | 1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOLE DERIVATIVE COMPOUNDS AND USES THEREOF | RECREO PHARMACEUTICALS LLC (US) | 2020-02-20 | — | — | WO | disclosed |