Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PLG | P00747 | 1/20 | 0.38 |
| ▸ | PLAU | P00749 | 1/20 | 0.38 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.37 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | HCK | P08631 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | MTOR | P42345 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23538113 | 0.81 | ALDH1A1 (0.43) | ALDH1A1KDM4EMAPTCYP2A6CYP1A2 | |
| SCHEMBL27601642 | 0.72 | ALDH1A1 (0.53) | ALDH1A1KDM4EMAPTCYP2A6CYP1A2 | |
| SCHEMBL3433878 | 0.72 | CYP2A6 (0.58) | ALDH1A1KDM4EMAPTCYP2A6CYP1A2 | |
| SCHEMBL23538121 | 0.70 | MAPT (0.38) | MAPT | |
| SCHEMBL23538279 | 0.69 | — | — | |
| SCHEMBL27652472 | 0.67 | ALDH1A1 (0.49) | ALDH1A1KDM4EMAPTCYP2A6CYP1A2 | |
| SCHEMBL671759 | 0.66 | ALDH1A1 (1.00) | ALDH1A1KDM4EMAPTCYP2A6CYP1A2 | |
| SCHEMBL29954469 | 0.66 | ALDH1A1 (1.00) | ALDH1A1KDM4EMAPTCYP2A6CYP1A2 | |
| SCHEMBL15323821 | 0.66 | ALDH1A1 (0.45) | ALDH1A1KDM4EMAPTCYP2A6CYP1A2 | |
| SCHEMBL20590766 | 0.64 | CYP2A6 (0.55) | ALDH1A1KDM4EMAPTCYP2A6CYP1A2 |
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-2021127302-A1 | 2-(1H-INDOLE-3-CARBONYL)-THIAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS FOR THE TREATMENT OF E.G. ANGIOGENESIS IMPLICATED OR INFLAMMATORY DISORDERS | Ikena Oncology, Inc. (US) | 2021-06-24 | — | — | WO | disclosed |