Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.85 |
| ▸ | CA1 | P00915 | 2/20 | 0.85 |
| ▸ | CA2 | P00918 | 2/20 | 0.85 |
| ▸ | CA3 | P07451 | 2/20 | 0.85 |
| ▸ | CA4 | P22748 | 2/20 | 0.85 |
| ▸ | CA9 | Q16790 | 2/20 | 0.85 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.85 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.85 |
| ▸ | GLA | P06280 | 1/20 | 0.85 |
| ▸ | MMP3 | P08254 | 1/20 | 0.65 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.65 |
| ▸ | MEN1 | O00255 | 2/20 | 0.61 |
| ▸ | NPC1 | O15118 | 2/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.61 |
| ▸ | GMNN | O75496 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| Phenol SCHEMBL2230542 | 0.96 | CA12 (0.92) | CA12CA1CA2CA3CA4 | |
| Hydroquinone SCHEMBL592536 | 0.96 | CA12 (0.92) | CA12CA1CA2CA3CA4 | |
| Phenol SCHEMBL4672471 | 0.96 | CA12 (0.92) | CA12CA1CA2CA3CA4 | |
| Hydroquinone SCHEMBL2373444 | 0.96 | CA12 (0.92) | CA12CA1CA2CA3CA4 | |
| Hydroquinone SCHEMBL5136825 | 0.96 | CA12 (0.92) | CA12CA1CA2CA3CA4 | |
| Phenol SCHEMBL6551124 | 0.96 | — | — | |
| Phenol SCHEMBL125760 | 0.96 | — | — | |
| Phenol SCHEMBL27822073 | 0.96 | CA12 (0.92) | CA12CA1CA2CA3CA4 | |
| Phenol SCHEMBL5165532 | 0.92 | — | — | |
| Hydroquinone SCHEMBL15284042 | 0.92 | CA12 (0.85) | CA12CA1CA2CA3CA4 |
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-107183028-A | A kind of ethyl（2R）‑2‑[4‑（The fluorophenoxy of 4 cyano group 2）Phenoxy group] propionic ester and preparation and application | 北京燕化永乐生物科技股份有限公司 | 2017-09-22 | — | — | CN | disclosed |