Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 3/20 | 0.40 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.34 |
| ▸ | REN | P00797 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | LOX | P28300 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL25951466 | 0.82 | ALDH1A1 (0.42) | CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL26661512 | 0.74 | HSP90AB1 (0.34) | TGFBR1TGFBR2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL23169939 | 0.69 | TRPA1 (0.46) | TGFBR1TGFBR2TRPA1ROCK2CYP3A4 | |
| SCHEMBL10307717 | 0.65 | DYRK1A (0.38) | HSP90AB1ALDH1A1RAB9AKDM4EKMT2A | |
| SCHEMBL9696700 | 0.65 | ALDH1A1 (0.42) | CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL26719799 | 0.65 | TRPA1 (0.31) | TGFBR1TGFBR2TRPA1HSP90AB1 | |
| SCHEMBL9695693 | 0.65 | ALDH1A1 (0.42) | CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL9696036 | 0.65 | ALDH1A1 (0.42) | CYP1A2CYP2D6CYP2C9CYP2C19HSP90AB1 | |
| SCHEMBL19710955 | 0.64 | DYRK1A (0.43) | HSP90AB1ALDH1A1KDM4EKMT2ADYRK1A | |
| SCHEMBL14039407 | 0.64 | HTR1A (0.38) | TRPA1 |
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-2021062316-A1 | AZAINDOLE CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS | THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) | 2021-04-01 | — | — | WO | disclosed |