Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | CDK9 | P50750 | 1/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.39 |
| ▸ | CTSD | P07339 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Nitrous Acid SCHEMBL28464259 | 1.00 | TSHR (0.42) | TSHRSMN1; SMN2TP53EPHX1EPHX2 | |
| SCHEMBL173220 | 0.84 | — | — | |
| SCHEMBL28442395 | 0.81 | — | — | |
| Diphenylamine SCHEMBL28086746 | 0.79 | HSD17B10 (0.67) | TSHRSMN1; SMN2TP53EPHX1EPHX2 | |
| Nitrous Acid SCHEMBL16990836 | 0.75 | IDO1 (0.70) | TSHRSMN1; SMN2TP53EPHX1EPHX2 | |
| Trimethylammonium SCHEMBL28065344 | 0.74 | TSHR (0.52) | TSHRCYP1A2NPSR1IDO1HSD17B10 | |
| Propane SCHEMBL27707146 | 0.74 | TSHR (0.52) | TSHRTP53CYP1A2NPSR1IDO1 | |
| Acetanilide SCHEMBL28075342 | 0.70 | NAPRT (0.83) | TSHRSMN1; SMN2TP53EPHX1EPHX2 | |
| Biphenyl SCHEMBL8100593 | 0.69 | ALDH1A1 (0.60) | TSHRSMN1; SMN2CYP1A2HSD17B10ALDH1A1 | |
| Phenylthiourea SCHEMBL8377503 | 0.69 | ALDH1A1 (0.79) | TSHRSMN1; SMN2TP53EPHX1EPHX2 |
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-109401360-B | Method for carrying out surface modification on high-temperature structure ceramic material | 中国科学院化学研究所 | 2020-08-21 | — | — | CN | disclosed |