Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 9/20 | 0.52 |
| ▸ | APP | P05067 | 6/20 | 0.52 |
| ▸ | SNCA | P37840 | 6/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CRHBP | P24387 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL29033799 | 0.88 | TRPA1 (0.64) | TRPA1MAPTAPPSNCAMEN1 | |
| SCHEMBL29033794 | 0.88 | CHRM1 (0.55) | TRPA1MAPTAPPSNCAALDH1A1 | |
| SCHEMBL29033840 | 0.82 | TRPA1 (0.66) | TRPA1MAPTAPPSNCAALDH1A1 | |
| SCHEMBL29033842 | 0.82 | TRPA1 (0.66) | TRPA1MAPTAPPSNCAALDH1A1 | |
| SCHEMBL1061470 | 0.82 | TRPA1 (0.72) | TRPA1MAPTAPPSNCAALDH1A1 | |
| SCHEMBL1061471 | 0.82 | TRPA1 (0.72) | TRPA1MAPTAPPSNCAALDH1A1 | |
| SCHEMBL29033795 | 0.81 | TRPA1 (0.56) | TRPA1MAPTAPPSNCAKMT2A | |
| SCHEMBL29033817 | 0.81 | TGM2 (0.56) | TRPA1MAPTAPPSNCAALDH1A1 | |
| SCHEMBL12930303 | 0.80 | TRPA1 (0.68) | TRPA1MAPTAPPSNCAALDH1A1 | |
| SCHEMBL12930173 | 0.80 | MAPT (0.56) | TRPA1MAPTAPPSNCANPSR1 |
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-116444419-A | Indigo infrared diene structure compound and preparation method thereof | 合肥工业大学 | 2023-07-18 | — | — | CN | claimed |
| CN-116444419-A | Indigo infrared diene structure compound and preparation method thereof | 合肥工业大学 | 2023-07-18 | — | — | CN | disclosed |