Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | CYP1A1 | P04798 | 6/20 | 0.55 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.55 |
| ▸ | TUBB | P07437 | 1/20 | 0.55 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.55 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.55 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.55 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.55 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.55 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.55 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.55 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.55 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.55 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.55 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.55 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL29778007 | 0.98 | TRPA1 (0.68) | TRPA1ALDH1A1TSHRCYP1A1CYP1B1 | |
| SCHEMBL33786 | 0.98 | TRPA1 (0.68) | TRPA1ALDH1A1TSHRCYP1A1CYP1B1 | |
| Methoxymethane SCHEMBL28668338 | 0.96 | TRPA1 (0.66) | TRPA1ALDH1A1TSHRCYP1A1CYP1B1 | |
| Styrene SCHEMBL4407984 | 0.88 | CYP1A1 (0.68) | TRPA1ALDH1A1TSHRCYP1A1CYP1B1 | |
| SCHEMBL25059141 | 0.86 | TRPA1 (0.59) | TRPA1ALDH1A1TSHRCYP1A1CYP1B1 | |
| SCHEMBL28829668 | 0.84 | TRPA1 (0.58) | TRPA1ALDH1A1TSHRCYP1A1CYP1B1 | |
| SCHEMBL7518943 | 0.84 | CYP1A1 (0.53) | TRPA1ALDH1A1TSHRCYP1A1CYP1B1 | |
| SCHEMBL7515734 | 0.84 | TRPA1 (0.53) | TRPA1ALDH1A1TSHRCYP1A1CYP1B1 | |
| SCHEMBL14706512 | 0.83 | ALDH1A1 (0.56) | TRPA1ALDH1A1TSHRCYP1A1CYP1B1 | |
| SCHEMBL13210789 | 0.83 | TRPA1 (0.56) | TRPA1ALDH1A1TSHRTUBB4ATUBB |
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 |
|---|---|---|---|---|---|---|---|
| CN-105384702-B | Three substitution s-triazine compounds and preparation method thereof | 浙江大学 | 2018-04-10 | — | — | CN | disclosed |