Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.49 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 5/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | PKLR | P30613 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24196804 | 0.79 | ABCB1 (0.53) | ABCB1GRM2HTR1ASLC6A2SLC6A4 | |
| SCHEMBL10994234 | 0.76 | ABCB1 (0.60) | ABCB1HTR1ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6926172 | 0.76 | ABCB1 (0.53) | ABCB1OPRL1 | |
| SCHEMBL30269788 | 0.74 | ABCB1 (0.47) | ABCB1GRM2HTR1ASLC6A2SLC6A4 | |
| SCHEMBL24685527 | 0.72 | ABCB1 (0.56) | ABCB1HTR1ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6926444 | 0.71 | ABCB1 (0.49) | ABCB1GRM2SLC6A4OPRL1 | |
| Bicarbonate SCHEMBL9363462 | 0.71 | ABCB1 (0.51) | ABCB1HTR1ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL28668021 | 0.71 | ABCB1 (0.51) | ABCB1HTR1ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL23536162 | 0.68 | GRM2 (0.45) | ABCB1GRM2NOTUM | |
| SCHEMBL21965087 | 0.68 | OPRL1 (0.47) | ABCB1SLC6A2SLC6A3OPRL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022008475-A1 | INDOLE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER | UNIVERSITE CLAUDE BERNARD LYON 1 (FR) | 2022-01-13 | — | — | WO | disclosed |