Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Bicarbonate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 5/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | STAT3 | P40763 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SI | P14410 | 1/20 | 0.34 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.34 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.34 |
| ▸ | TUBB | P07437 | 1/20 | 0.34 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.34 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.34 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.34 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.34 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.34 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL30105565 | 0.97 | ALOX15 (0.41) | ALOX15CYP3A4MEN1KMT2AMAPK1 | |
| SCHEMBL891431 | 0.93 | ALOX15 (0.46) | ALOX15CYP3A4MEN1KMT2AMAPK1 | |
| SCHEMBL26189399 | 0.93 | ALOX15 (0.46) | ALOX15CYP3A4MEN1KMT2AMAPK1 | |
| SCHEMBL26189398 | 0.93 | ALOX15 (0.46) | ALOX15CYP3A4MEN1KMT2AMAPK1 | |
| SCHEMBL30419021 | 0.93 | ALOX15 (0.46) | ALOX15CYP3A4MEN1KMT2AMAPK1 | |
| Ethaneperoxoic Acid SCHEMBL27680426 | 0.89 | ALOX15 (0.39) | ALOX15CYP3A4MEN1KMT2AMAPK1 | |
| SCHEMBL6275006 | 0.84 | ALOX15 (0.54) | ALOX15CYP3A4MEN1KMT2AMAPK1 | |
| Furan SCHEMBL28475914 | 0.83 | ALOX15 (0.42) | ALOX15CYP3A4MEN1KMT2AMAPK1 | |
| Mannitol SCHEMBL27989910 | 0.80 | ALOX15 (0.37) | ALOX15CYP3A4MEN1KMT2AMAPK1 | |
| SCHEMBL28422403 | 0.78 | ALOX15 (0.39) | ALOX15CYP3A4MEN1KMT2AMAPK1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105801529-B | A kind of preparation method of carbonic acid linalool oxide (pyranoid form and furan type) ester ethyl ester | 上海应用技术学院 | 2018-10-30 | — | — | CN | claimed |
| CN-105801529-A | Preparation method for carbonic acid linalool oxide (pyran type and furan type) ester ethyl ester | 上海应用技术学院 | 2016-07-27 | — | — | CN | claimed |
| CN-105801529-B | A kind of preparation method of carbonic acid linalool oxide (pyranoid form and furan type) ester ethyl ester | 上海应用技术学院 | 2018-10-30 | — | — | CN | disclosed |
| CN-105801529-B | A kind of preparation method of carbonic acid linalool oxide (pyranoid form and furan type) ester ethyl ester | 上海应用技术学院 | 2018-10-30 | — | — | CN | disclosed |
| CN-105801529-B | A kind of preparation method of carbonic acid linalool oxide (pyranoid form and furan type) ester ethyl ester | 上海应用技术学院 | 2018-10-30 | — | — | CN | disclosed |
| CN-105801529-A | Preparation method for carbonic acid linalool oxide (pyran type and furan type) ester ethyl ester | 上海应用技术学院 | 2016-07-27 | — | — | CN | disclosed |
| CN-105801529-A | Preparation method for carbonic acid linalool oxide (pyran type and furan type) ester ethyl ester | 上海应用技术学院 | 2016-07-27 | — | — | CN | disclosed |
| CN-105801529-A | Preparation method for carbonic acid linalool oxide (pyran type and furan type) ester ethyl ester | 上海应用技术学院 | 2016-07-27 | — | — | CN | disclosed |