Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 2/20 | 0.42 |
| ▸ | LSS | P48449 | 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 | |
|---|---|---|---|---|
| SCHEMBL20873711 | 0.84 | ALDH1A1 (0.56) | ALDH1A1CYP1A2GAACYP2C9PKM | |
| SCHEMBL454112 | 0.84 | — | — | |
| Methoxymethane SCHEMBL28140011 | 0.81 | CA4 (0.55) | LMNACA1CA2CA9CA4 | |
| SCHEMBL10784953 | 0.81 | CA1 (0.50) | ALDH1A1NPC1RAB9AKDM4ECYP1A2 | |
| Biphenyl SCHEMBL11784329 | 0.79 | CA4 (0.68) | ALDH1A1NPC1RAB9AKDM4ELMNA | |
| SCHEMBL17283658 | 0.79 | CA4 (0.68) | ALDH1A1NPC1RAB9AKDM4ELMNA | |
| SCHEMBL291776 | 0.79 | CA4 (0.68) | ALDH1A1NPC1RAB9AKDM4ELMNA | |
| SCHEMBL9152375 | 0.79 | CA4 (0.68) | ALDH1A1NPC1RAB9AKDM4ELMNA | |
| SCHEMBL17049457 | 0.78 | LTA4H (0.47) | ALDH1A1CYP1A2GAACYP2C9PKM | |
| Biphenyl SCHEMBL9139034 | 0.78 | ALDH1A1 (0.64) | ALDH1A1CYP1A2TDP1CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021047674-A1 | BICYCLIC COMPOUND THAT ACTS AS CRBN PROTEIN REGULATOR | 南京明德新药研发有限公司 | 2021-03-18 | — | — | WO | disclosed |
| WO-2011057959-A1 | INDOLE AND INDAZOLE DERIVATIVES AS GLYCOGEN SYNTHASE ACTIVATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-05-19 | — | — | WO | disclosed |