Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.40 |
| ▸ | HTR3B | O95264 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.40 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.40 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27796757 | 0.88 | ALDH1A1 (0.46) | CES2CES1ALDH1A1MAPTSMN1; SMN2 | |
| Acetic Acid SCHEMBL8201546 | 0.86 | ALDH1A1 (0.48) | CES2CES1ALDH1A1MAPTSMN1; SMN2 | |
| Methylamine SCHEMBL27607056 | 0.85 | TSHR (0.50) | ALDH1A1SMN1; SMN2TSHRLMNAACHE | |
| SCHEMBL14127455 | 0.84 | — | — | |
| SCHEMBL12792 | 0.84 | — | — | |
| SCHEMBL29432874 | 0.84 | — | — | |
| SCHEMBL10539510 | 0.84 | LMNA (0.41) | ALDH1A1SMN1; SMN2TSHRLMNAACHE | |
| Formaldehyde SCHEMBL28159516 | 0.82 | TSHR (0.47) | CES2CES1ALDH1A1TSHRLMNA | |
| Methylamine SCHEMBL28525175 | 0.82 | CYP3A4 (0.48) | ALDH1A1SMN1; SMN2TSHRLMNAACHE | |
| 1,2-Dichlorobenzene SCHEMBL521767 | 0.82 | TSHR (0.62) | ALDH1A1CYP1A2TSHRLMNAACHE |
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-115916338-A | NURR1 receptor modulators and uses thereof | 加利福尼亚大学董事会 | 2023-04-04 | — | — | CN | disclosed |
| CN-113423685-B | Prodrug modulators of integrated stress pathways | 卡里科生命科学有限责任公司 | 2022-11-29 | — | — | CN | disclosed |