Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.46 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.41 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | IDH1 | O75874 | 5/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | IDH2 | P48735 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30276673 | 0.85 | POLB (0.46) | NPC1RAB9AMAPTNPSR1HTT | |
| SCHEMBL31052478 | 0.85 | DHFR (0.44) | NPC1RAB9AMAPTNPSR1HTT | |
| SCHEMBL15935031 | 0.85 | HTT (0.46) | NPC1RAB9AMAPTNPSR1HTT | |
| SCHEMBL28242208 | 0.85 | TRPV4 (0.42) | NPC1RAB9AMAPTNPSR1HTT | |
| SCHEMBL15924259 | 0.85 | TRPV4 (0.42) | NPC1RAB9AMAPTNPSR1HTT | |
| SCHEMBL30276683 | 0.82 | MAPT (0.47) | NPC1RAB9AMAPTNPSR1HTT | |
| SCHEMBL19311804 | 0.81 | TRPV4 (0.39) | NPC1RAB9AMAPTNPSR1HTT | |
| SCHEMBL16043755 | 0.81 | KCNJ1 (0.39) | NPC1RAB9AMAPTNPSR1HTT | |
| SCHEMBL287239 | 0.80 | NPC1 (0.53) | NPC1RAB9AMAPTNPSR1HTT | |
| SCHEMBL28242163 | 0.80 | DHFR (0.40) | TRPV4DHFRIDH1CYP3A4HRH3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109476640-A | Bicyclic proline compounds | 豪夫迈·罗氏有限公司 | 2019-03-15 | — | — | CN | disclosed |
| CN-109476628-A | Sulfonyl cyclic alkyl amides compound as TRPA1 regulator | 豪夫迈·罗氏有限公司 | 2019-03-15 | — | — | CN | disclosed |