Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.46 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22717248 | 0.87 | HCAR2 (0.42) | ATMALDH1A1TSHRHPGDHCAR2 | |
| SCHEMBL16826876 | 0.85 | ATM (0.54) | ATMALDH1A1TSHRHPGDHCAR2 | |
| SCHEMBL16826875 | 0.85 | ATM (0.54) | ATMALDH1A1TSHRHPGDHCAR2 | |
| 2-Ethylhexanoic Acid SCHEMBL28481454 | 0.84 | CA2 (0.59) | ATMALDH1A1TSHRHPGDHCAR2 | |
| SCHEMBL27322194 | 0.83 | ATM (0.52) | ATMALDH1A1TSHRHPGDHCAR2 | |
| SCHEMBL17219346 | 0.82 | ATM (0.50) | ATMALDH1A1TSHRHPGDHCAR2 | |
| SCHEMBL14700651 | 0.82 | TSHR (0.57) | ATMALDH1A1TSHRHPGDHCAR2 | |
| SCHEMBL14218146 | 0.80 | ATM (0.48) | ATMALDH1A1TSHRHPGDHCAR2 | |
| SCHEMBL10062304 | 0.80 | ATM (0.48) | ATMALDH1A1TSHRHPGDHCAR2 | |
| SCHEMBL11252949 | 0.80 | ATM (0.48) | ATMALDH1A1TSHRHPGDHCAR2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107876092-B | Application of titanium catalyst with cyclic structure as reaction catalyst for synthesizing benzyl carbonate or diphenyl carbonate by ester exchange | 华东理工大学 | 2023-01-10 | — | — | CN | disclosed |
| CN-107417719-B | Application of titanium chelate as reaction catalyst for synthesizing benzyl carbonate or diphenyl carbonate by ester exchange | 华东理工大学 | 2022-11-25 | — | — | CN | disclosed |
| CN-1155884-A | (-)-(3R)-methyl-4-{-4-[4-(4-pyridyl)piperazin-1-YL]phenoxy} butyric acid as cellular adhesion inhibitor | ZENECA LTD (GB) | 1997-07-30 | — | — | CN | disclosed |
| US-4346087-A | CORROSION RESISTANCE | TOHO CHEMICAL INDUSTRY CO., LTD. (JP) | 1982-08-24 | — | — | US | disclosed |