Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL26529688 | 0.93 | KDM4E (0.37) | ALDH1A1KDM4ECA1CA2EPHX1 | |
| SCHEMBL26529238 | 0.93 | KDM4E (0.40) | ALDH1A1KDM4EEPHX1ACHE | |
| SCHEMBL11238256 | 0.87 | ALDH1A1 (0.40) | ALDH1A1ATMHPGDTSHRSMN1; SMN2 | |
| SCHEMBL26529433 | 0.82 | GAA (0.38) | ALDH1A1KDM4EHPGDRAB9ALMNA | |
| SCHEMBL13679523 | 0.79 | HRH3 (0.30) | KDM4E | |
| SCHEMBL8954874 | 0.79 | ALDH1A1 (0.54) | ALDH1A1ATMHPGDTSHRSMN1; SMN2 | |
| SCHEMBL13541256 | 0.79 | ALDH1A1 (0.54) | ALDH1A1ATMHPGDTSHRSMN1; SMN2 | |
| SCHEMBL310458 | 0.79 | ALDH1A1 (0.54) | ALDH1A1ATMHPGDTSHRSMN1; SMN2 | |
| SCHEMBL26529240 | 0.79 | EPHX1 (0.35) | ALDH1A1KDM4ESMN1; SMN2EPHX1ACHE | |
| SCHEMBL26529438 | 0.79 | SMN1; SMN2 (0.39) | ALDH1A1KDM4EHPGDTSHRSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20230321591-A1 | Beta-Amino Carboxylate (BAC) Solvents for Enhanced CO2 Separations | BATTELLE MEMORIAL INSTITUTE | 2023-10-12 | — | — | US | disclosed |
| WO-2023192410-A1 | BETA-AMINO CARBOXYLATE (BAC) SOLVENTS FOR ENHANCED CO2 SEPARATIONS | BATTELLE MEMORIAL INSTITUTE (US) | 2023-10-05 | — | — | WO | disclosed |