Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | TPMT | P51580 | 1/20 | 0.34 |
| ▸ | CPA1 | P15085 | 1/20 | 0.34 |
| ▸ | MLYCD | O95822 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | PDK1 | Q15118 | 3/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.33 |
| ▸ | PDK3 | Q15120 | 3/20 | 0.33 |
| ▸ | PDK4 | Q16654 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.32 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.32 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.32 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.32 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Iodobenzene SCHEMBL334303 | 0.88 | CES1 (0.50) | CES1TPMTCPA1TRPV1CYP1A2 | |
| Iodobenzene SCHEMBL2237441 | 0.88 | CES1 (0.50) | CES1TPMTCPA1TRPV1CYP1A2 | |
| Iodobenzene SCHEMBL2485086 | 0.88 | CES1 (0.50) | CES1TPMTCPA1TRPV1CYP1A2 | |
| Iodobenzene SCHEMBL15140156 | 0.86 | CES1 (0.45) | CES1TPMTCPA1PDK1PDK2 | |
| Iodobenzene SCHEMBL27571482 | 0.81 | TSHR (0.41) | CYP1A2 | |
| Chlorobenzene SCHEMBL11114499 | 0.81 | TSHR (0.42) | CES1SMN1; SMN2CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL3833376 | 0.78 | ALDH1A1 (0.35) | DPP4DPP8 | |
| Trifluoroacetic Acid SCHEMBL5745817 | 0.78 | ALDH1A1 (0.35) | DPP4DPP8 | |
| Trifluoroacetic Acid SCHEMBL4355857 | 0.78 | ALDH1A1 (0.35) | DPP4DPP8 | |
| Trifluoroacetic Acid SCHEMBL4287600 | 0.78 | ALDH1A1 (0.35) | DPP4DPP8 |
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-109608454-B | Novel method for synthesizing 6H-pyridine [1,2-c ] quinazoline-6-ketone compound | 河南师范大学 | 2022-09-13 | — | — | CN | disclosed |
| CN-109608454-A | A kind of new method synthesizing 6 hydrogen-pyridine [1,2-c] quinazoline -6- ketone compounds | 河南师范大学 | 2019-04-12 | — | — | CN | disclosed |