Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.64 |
| ▸ | NPC1 | O15118 | 4/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.64 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | JAK1 | P23458 | 1/20 | 0.48 |
| ▸ | TYK2 | P29597 | 1/20 | 0.48 |
| ▸ | PABPC1 | P11940 | 2/20 | 0.47 |
| ▸ | EIF4H | Q15056 | 1/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL19476155 | 0.84 | NPC1 (0.83) | RAB9ANPC1MEN1KMT2AHTT | |
| SCHEMBL19476174 | 0.79 | NPC1 (0.70) | RAB9ANPC1MEN1KMT2AHTT | |
| SCHEMBL7532358 | 0.78 | KMT2A (0.68) | RAB9ANPC1MEN1KMT2AHTT | |
| SCHEMBL6178959 | 0.77 | RAB9A (0.53) | RAB9ANPC1MEN1KMT2AHTT | |
| SCHEMBL30648563 | 0.76 | RAB9A (0.88) | RAB9ANPC1MEN1KMT2AHTT | |
| SCHEMBL23566407 | 0.76 | HTT (0.63) | RAB9ANPC1MEN1KMT2AHTT | |
| SCHEMBL14439750 | 0.75 | NPC1 (0.61) | RAB9ANPC1MEN1KMT2AHTT | |
| SCHEMBL6174576 | 0.75 | RAB9A (0.61) | RAB9ANPC1MEN1KMT2AHTT | |
| SCHEMBL23566394 | 0.75 | USP2 (0.68) | RAB9ANPC1MEN1KMT2AHTT | |
| SCHEMBL3820618 | 0.75 | HTT (0.66) | RAB9ANPC1MEN1KMT2AHTT |
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-2017177979-A1 | HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE | 中国科学院上海有机化学研究所 | 2017-10-19 | — | — | WO | disclosed |