Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | ACP3 | P15309 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | CDC25B | P30305 | 1/20 | 0.37 |
| ▸ | PLK1 | P53350 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30785066 | 0.98 | CYP1A2 (0.44) | CYP1A2NR4A1NR4A2NR4A3ALDH1A1 | |
| SCHEMBL347056 | 0.98 | CYP1A2 (0.44) | CYP1A2NR4A1NR4A2NR4A3ALDH1A1 | |
| SCHEMBL1583765 | 0.96 | CYP1A2 (0.43) | CYP1A2NR4A1NR4A2NR4A3ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL21314237 | 0.96 | CYP1A2 (0.43) | CYP1A2NR4A1NR4A2NR4A3ALDH1A1 | |
| Formaldehyde SCHEMBL11755336 | 0.94 | CYP1A2 (0.41) | CYP1A2NR4A1NR4A2NR4A3ALDH1A1 | |
| SCHEMBL21314245 | 0.84 | CDYL (0.44) | CYP1A2ALDH1A1TDP1TSHRKDM4E | |
| SCHEMBL4649800 | 0.82 | ALDH1A1 (0.37) | CYP1A2NR4A1NR4A2NR4A3ALDH1A1 | |
| SCHEMBL21314240 | 0.79 | ALDH1A1 (0.42) | CYP1A2ALDH1A1CYP2A6TDP1KDM4E | |
| N-Benzylmethylamine SCHEMBL28137345 | 0.79 | KDM4E (0.49) | CYP1A2TSHRKDM4ECYP3A4ACP3 | |
| SCHEMBL19975211 | 0.77 | ALDH1A1 (0.43) | CYP1A2NR4A1NR4A2NR4A3ALDH1A1 |
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-106535815-B | Reactive micro-applicator with metal-containing additives for applying dental adhesives | 古莎有限公司 | 2020-05-29 | — | — | CN | disclosed |
| CN-106535815-A | Reactive micro-applicator with metal-containing additives for applying dental adhesives | 贺利氏古萨有限公司 | 2017-03-22 | — | — | CN | disclosed |