Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 2/20 | 0.55 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.55 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.55 |
| ▸ | ITGAL | P20701 | 1/20 | 0.55 |
| ▸ | CA4 | P22748 | 1/20 | 0.55 |
| ▸ | CA6 | P23280 | 1/20 | 0.55 |
| ▸ | ADK | P55263 | 1/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 10/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 10/20 | 0.36 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 9/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | AXL | P30530 | 1/20 | 0.33 |
| ▸ | NUDT1 | P36639 | 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 | |
|---|---|---|---|---|
| Indole SCHEMBL28150508 | 0.90 | TRPA1 (0.55) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL28255181 | 0.88 | TRPA1 (0.42) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL4075709 | 0.88 | AHR (0.71) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL2487163 | 0.88 | AHR (0.71) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL28940073 | 0.88 | AHR (0.71) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL7643909 | 0.88 | AHR (0.71) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL14834292 | 0.86 | AHR (0.68) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL6323417 | 0.86 | AHR (0.74) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL28253385 | 0.83 | TRPA1 (0.38) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL463563 | 0.80 | AHR (0.77) | AHRTRPA1CA1CA2ITGB2 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114507218-B | Indole piperidine pyrimidine derivative and preparation method and application thereof | 武汉工程大学 | 2024-01-16 | — | — | CN | claimed |
| CN-114588158-B | Application of indole piperidine pyrimidine derivative in preparation of novel coronavirus inhibitor | 武汉工程大学 | 2023-09-05 | — | — | CN | claimed |
| CN-114588158-A | Application of indole piperidine pyrimidine derivatives in preparation of novel coronavirus inhibitor | 武汉工程大学 | 2022-06-07 | — | — | CN | claimed |
| CN-114507218-A | Indole piperidine pyrimidine derivatives, and preparation method and application thereof | 武汉工程大学 | 2022-05-17 | — | — | CN | claimed |
| CN-114507218-B | Indole piperidine pyrimidine derivative and preparation method and application thereof | 武汉工程大学 | 2024-01-16 | — | — | CN | disclosed |
| CN-114507218-B | Indole piperidine pyrimidine derivative and preparation method and application thereof | 武汉工程大学 | 2024-01-16 | — | — | CN | disclosed |
| CN-114507218-B | Indole piperidine pyrimidine derivative and preparation method and application thereof | 武汉工程大学 | 2024-01-16 | — | — | CN | disclosed |
| CN-114588158-B | Application of indole piperidine pyrimidine derivative in preparation of novel coronavirus inhibitor | 武汉工程大学 | 2023-09-05 | — | — | CN | disclosed |
| CN-114588158-B | Application of indole piperidine pyrimidine derivative in preparation of novel coronavirus inhibitor | 武汉工程大学 | 2023-09-05 | — | — | CN | disclosed |
| CN-114588158-B | Application of indole piperidine pyrimidine derivative in preparation of novel coronavirus inhibitor | 武汉工程大学 | 2023-09-05 | — | — | CN | disclosed |
| CN-114588158-A | Application of indole piperidine pyrimidine derivatives in preparation of novel coronavirus inhibitor | 武汉工程大学 | 2022-06-07 | — | — | CN | disclosed |
| CN-114588158-A | Application of indole piperidine pyrimidine derivatives in preparation of novel coronavirus inhibitor | 武汉工程大学 | 2022-06-07 | — | — | CN | disclosed |
| CN-114588158-A | Application of indole piperidine pyrimidine derivatives in preparation of novel coronavirus inhibitor | 武汉工程大学 | 2022-06-07 | — | — | CN | disclosed |
| CN-114507218-A | Indole piperidine pyrimidine derivatives, and preparation method and application thereof | 武汉工程大学 | 2022-05-17 | — | — | CN | disclosed |
| CN-114507218-A | Indole piperidine pyrimidine derivatives, and preparation method and application thereof | 武汉工程大学 | 2022-05-17 | — | — | CN | disclosed |
| CN-114507218-A | Indole piperidine pyrimidine derivatives, and preparation method and application thereof | 武汉工程大学 | 2022-05-17 | — | — | CN | disclosed |