Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC10A1 | Q14973 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25896594 | 0.86 | SLC10A1 (0.33) | SLC10A1S1PR1S1PR3CYP1A2CYP2E1 | |
| SCHEMBL25898841 | 0.82 | CYP1A2 (0.32) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2A6 | |
| SCHEMBL25898059 | 0.81 | S1PR1 (0.34) | S1PR1S1PR3 | |
| SCHEMBL23395522 | 0.81 | KLK7 (0.37) | CYP3A4 | |
| SCHEMBL25896587 | 0.78 | CYP1A2 (0.33) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL23395667 | 0.78 | KLK7 (0.44) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL23395570 | 0.77 | MAOB (0.41) | CYP3A4CYP2C19 | |
| SCHEMBL23395584 | 0.76 | S1PR1 (0.33) | S1PR1S1PR3 | |
| SCHEMBL23395618 | 0.74 | PTPN1 (0.41) | CYP2C19 | |
| SCHEMBL23395582 | 0.74 | KLK7 (0.33) | — |
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-3583092-B1 | COMPOUNDS FOR OPTICALLY ACTIVE DEVICES | MERCK PATENT GMBH (DE) | 2021-05-26 | — | — | EP | disclosed |