Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | LDHA | P00338 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.42 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.42 |
| ▸ | AGXT | P21549 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13166017 | 1.00 | SLC6A4 (0.58) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA | |
| SCHEMBL13166015 | 1.00 | SLC6A4 (0.58) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA | |
| SCHEMBL12427784 | 0.89 | SLC6A4 (0.55) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA | |
| SCHEMBL28265222 | 0.86 | SLC6A4 (0.51) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA | |
| SCHEMBL28296170 | 0.86 | SLC6A4 (0.69) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA | |
| SCHEMBL13623704 | 0.84 | SLC6A4 (0.62) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA | |
| SCHEMBL6017470 | 0.84 | SLC6A4 (0.62) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA | |
| SCHEMBL13166045 | 0.83 | NQO1 (0.52) | TAS1R3TAS1R1 | |
| SCHEMBL18557398 | 0.83 | HTT (0.56) | SLC6A4MEN1KMT2AHTTSMN1; SMN2 | |
| SCHEMBL13166039 | 0.83 | NQO1 (0.52) | TAS1R3TAS1R1 |
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-2280987-B1 | TRITERPENE SAPONINS, METHODS OF SYNTHESIS, AND USES THEREOF | SLOAN KETTERING INST CANCER RES (US) | 2018-05-23 | — | — | EP | disclosed |