Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 5/20 | 0.43 |
| ▸ | CA6 | P23280 | 5/20 | 0.43 |
| ▸ | CA7 | P43166 | 5/20 | 0.43 |
| ▸ | CA9 | Q16790 | 5/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.43 |
| ▸ | CA5B | Q9Y2D0 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | RECQL | P46063 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 4/20 | 0.42 |
| ▸ | CA4 | P22748 | 4/20 | 0.42 |
| ▸ | CA5A | P35218 | 4/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | CA3 | P07451 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4693105 | 0.86 | NFKB1 (0.33) | CYP2C19CA12CA6CA7CA9 | |
| SCHEMBL12964443 | 0.85 | ALOX15 (0.54) | CYP2C19CYP2C9CA12CA6CA7 | |
| Iodide SCHEMBL30616095 | 0.74 | DNM1 (0.33) | MEN1KMT2ATDP1ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL11570074 | 0.74 | TDP1 (0.30) | TDP1 | |
| SCHEMBL14910454 | 0.73 | — | — | |
| SCHEMBL4157087 | 0.73 | — | — | |
| SCHEMBL11812813 | 0.72 | TSHR (0.42) | CYP2C19CYP2C9CA12CA7CA14 | |
| SCHEMBL8766714 | 0.72 | CYP2C19 (0.54) | CYP2C19CYP2C9CA12CA6CA7 | |
| SCHEMBL20124206 | 0.71 | — | — | |
| SCHEMBL208394 | 0.70 | — | — |
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-109661454-B | Substituted Mannich base fuel additives, compositions, and methods | 赢创运营有限公司 | 2021-10-29 | — | — | CN | disclosed |