Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 7/20 | 0.64 |
| ▸ | MMP2 | P08253 | 7/20 | 0.64 |
| ▸ | MMP9 | P14780 | 7/20 | 0.64 |
| ▸ | EGFR | P00533 | 7/20 | 0.64 |
| ▸ | TRPM2 | O94759 | 1/20 | 0.62 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.62 |
| ▸ | TRPA1 | O75762 | 5/20 | 0.60 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.60 |
| ▸ | MEN1 | O00255 | 3/20 | 0.60 |
| ▸ | NPC1 | O15118 | 3/20 | 0.60 |
| ▸ | RAB9A | P51151 | 3/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL28327436 | 1.00 | MMP1 (0.64) | MMP1MMP2MMP9EGFRTRPM2 | |
| SCHEMBL11010949 | 0.85 | HTT (0.68) | MEN1KMT2ASMN1; SMN2MAPTKDM4E | |
| SCHEMBL11010956 | 0.85 | HTT (0.68) | MEN1KMT2ASMN1; SMN2MAPTKDM4E | |
| SCHEMBL294403 | 0.84 | TRPM2 (0.83) | MMP1MMP2MMP9EGFRTRPM2 | |
| SCHEMBL294402 | 0.84 | TRPM2 (0.83) | MMP1MMP2MMP9EGFRTRPM2 | |
| SCHEMBL28609663 | 0.82 | SMN1; SMN2 (0.74) | MMP1MMP2MMP9EGFRTRPM2 | |
| SCHEMBL28609662 | 0.82 | SMN1; SMN2 (0.74) | MMP1MMP2MMP9EGFRTRPM2 | |
| SCHEMBL28605929 | 0.82 | MMP1 (0.64) | MMP1MMP2MMP9EGFRTRPM2 | |
| SCHEMBL28605928 | 0.82 | MMP1 (0.64) | MMP1MMP2MMP9EGFRTRPM2 | |
| SCHEMBL10492424 | 0.82 | MMP1 (0.80) | MMP1MMP2MMP9EGFRTRPM2 |
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-110183394-B | Method for preparing 3-cyanoethyl-2-alkyl-4H-benzoxazine from bromoacetonitrile under blue light irradiation condition | 常州大学 | 2022-04-26 | — | — | CN | disclosed |
| CN-110183394-A | A kind of method that 3- nitrile ethyl -2- alkyl -4H- benzoxazine is prepared by bromoacetonitrile under the conditions of blue light illumination | 常州大学 | 2019-08-30 | — | — | CN | disclosed |