Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 7/20 | 0.51 |
| ▸ | NPC1 | O15118 | 6/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.51 |
| ▸ | TP53 | P04637 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.51 |
| ▸ | GAA | P10253 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | SCN4A | P35499 | 3/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | PKM | P14618 | 2/20 | 0.51 |
| ▸ | GMNN | O75496 | 1/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL21186297 | 0.92 | CYP3A4 (0.52) | CYP3A4CYP1A2CYP2C19RAB9ANPC1 | |
| SCHEMBL21186301 | 0.87 | CYP3A4 (0.59) | CYP3A4CYP1A2CYP2C19RAB9ANPC1 | |
| SCHEMBL21186298 | 0.86 | CYP3A4 (0.57) | CYP3A4CYP1A2CYP2C19RAB9ANPC1 | |
| SCHEMBL21186296 | 0.75 | CYP3A4 (0.51) | CYP3A4CYP1A2CYP2C19RAB9ANPC1 | |
| SCHEMBL20568080 | 0.74 | RAB9A (0.84) | CYP3A4CYP1A2CYP2C19RAB9ANPC1 | |
| SCHEMBL18699683 | 0.71 | CYP3A4 (0.70) | CYP3A4CYP1A2CYP2C19RAB9ANPC1 | |
| SCHEMBL29683488 | 0.71 | CYP3A4 (1.00) | CYP3A4CYP1A2CYP2C19RAB9ANPC1 | |
| SCHEMBL22358 | 0.71 | CYP3A4 (1.00) | CYP3A4CYP1A2CYP2C19RAB9ANPC1 | |
| SCHEMBL1064445 | 0.71 | LTA4H (0.56) | CYP3A4RAB9ANPC1SMN1; SMN2TP53 | |
| SCHEMBL1208630 | 0.70 | DHFR (0.46) | CYP3A4ALDH1A1TSHRMAPK1TDP1 |
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-2019141980-A1 | AGRICULTURAL CHEMICALS | GLOBACHEM NV (BE) | 2019-07-25 | — | — | WO | disclosed |