Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4796836 | 0.85 | SMN1; SMN2 (0.48) | ALDH1A1AKR1B1SMN1; SMN2HTTKDM4E | |
| SCHEMBL28238542 | 0.85 | ALDH1A1 (0.44) | TSHRALDH1A1SMN1; SMN2TP53MAPT | |
| SCHEMBL1835122 | 0.78 | PRKCE (0.42) | TSHRALDH1A1TP53MAPTHTT | |
| SCHEMBL2218864 | 0.78 | TRPA1 (0.46) | TSHRALDH1A1TP53MAPTHTT | |
| SCHEMBL12016024 | 0.78 | SMN1; SMN2 (0.39) | AKR1B1SMN1; SMN2MAPTKDM4ELMNA | |
| SCHEMBL21027998 | 0.78 | SMN1; SMN2 (0.39) | ALDH1A1AKR1B1SMN1; SMN2MAPTKDM4E | |
| SCHEMBL2136831 | 0.77 | TSHR (0.50) | TSHRALDH1A1AKR1B1SMN1; SMN2MAPT | |
| SCHEMBL22981498 | 0.76 | SMN1; SMN2 (0.38) | ALDH1A1AKR1B1SMN1; SMN2KDM4ETAAR1 | |
| SCHEMBL29434890 | 0.76 | SMN1; SMN2 (0.38) | ALDH1A1AKR1B1SMN1; SMN2KDM4ETAAR1 | |
| SCHEMBL6734384 | 0.76 | ALDH1A1 (0.47) | TSHRALDH1A1AKR1B1SMN1; SMN2CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024130690-A1 | ETHYLENEDIAMINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 江苏普莱医药生物技术有限公司 | 2024-06-27 | — | — | WO | disclosed |
| EP-3995497-A1 | ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE | Canon Kabushiki Kaisha (JP) | 2022-05-11 | — | — | EP | disclosed |
| WO-2011023795-A1 | (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS | ABBOTT HEALTHCARE PRODUCTS B.V. (NL) | 2011-03-03 | — | — | WO | disclosed |