Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.44 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL265432 | 0.86 | CTBP2 (0.51) | ALDH1A1LMNAKDM4EHTTL3MBTL1 | |
| SCHEMBL30522283 | 0.86 | CTBP2 (0.51) | ALDH1A1LMNAKDM4EHTTL3MBTL1 | |
| Water SCHEMBL27319077 | 0.84 | CTBP2 (0.50) | ALDH1A1LMNAKDM4EHTTL3MBTL1 | |
| Methyl 3-Phenylpropanoate SCHEMBL168711 | 0.84 | TDP1 (0.68) | ALDH1A1TDP1CA12CA7CA9 | |
| SCHEMBL8914213 | 0.82 | CYP4F2 (0.51) | ALDH1A1TDP1LMNAKDM4EHTT | |
| Methyl 3-Phenylpropanoate SCHEMBL1893702 | 0.82 | TDP1 (0.66) | ALDH1A1TDP1CA12CA7CA9 | |
| Methyl 3-Phenylpropanoate SCHEMBL27447160 | 0.82 | TDP1 (0.66) | ALDH1A1TDP1CA12CA7CA9 | |
| Methyl 3-Phenylpropanoate SCHEMBL27315471 | 0.82 | TDP1 (0.66) | ALDH1A1TDP1CA12CA7CA9 | |
| SCHEMBL28410864 | 0.82 | TSHR (0.59) | ALDH1A1TDP1LMNAP2RX7HTT | |
| Methyl 3-Phenylpropanoate SCHEMBL27822992 | 0.81 | TDP1 (0.59) | ALDH1A1TDP1CA12CA7CA9 |
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-111087306-B | Method for preparing organic carboxylic ester by aryl bidentate phosphine ligand combined catalysis | 南京诚志清洁能源有限公司 | 2021-08-03 | — | — | CN | disclosed |
| CN-111087306-A | Method for preparing organic carboxylic ester by aryl bidentate phosphine ligand combined catalysis | 南京诚志清洁能源有限公司 | 2020-05-01 | — | — | CN | disclosed |