Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL25871397 | 1.00 | TBXAS1 (0.48) | TBXAS1ALDH1A1MTNR1AMTNR1BCYP1A2 | |
| SCHEMBL11808134 | 1.00 | TBXAS1 (0.48) | TBXAS1ALDH1A1MTNR1AMTNR1BCYP1A2 | |
| SCHEMBL30705332 | 0.83 | KDM1A (0.44) | TBXAS1MTNR1AMTNR1BCYP1A2CYP2D6 | |
| SCHEMBL11308181 | 0.83 | ALDH1A1 (0.48) | ALDH1A1CES2CES1TDP1MAPK1 | |
| SCHEMBL27713864 | 0.81 | AKR1C1 (0.47) | TBXAS1ALDH1A1MTNR1AMTNR1BCES2 | |
| SCHEMBL20471424 | 0.80 | MTNR1A (0.46) | TBXAS1ALDH1A1MTNR1AMTNR1BCYP1A2 | |
| SCHEMBL28077326 | 0.80 | TBXAS1 (0.43) | TBXAS1MTNR1AMTNR1BCYP1A2CYP2D6 | |
| SCHEMBL20471425 | 0.80 | MTNR1A (0.46) | TBXAS1ALDH1A1MTNR1AMTNR1BCYP1A2 | |
| SCHEMBL7714707 | 0.80 | TBXAS1 (0.50) | TBXAS1ALDH1A1L3MBTL1MAPTAKT1 | |
| SCHEMBL7714709 | 0.80 | TBXAS1 (0.50) | TBXAS1ALDH1A1L3MBTL1MAPTAKT1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023137133-A2 | PROCESS FOR THE SELECTIVE CATALYTIC HYDROGENATION OF DIENONES | BASF SE (DE) | 2023-07-20 | — | — | WO | disclosed |
| US-3975446-A | FROM UNSATURATED ALCOHOL, TERTIARY AMINE | SHINETSU CHEMICAL COMPANY (JA) | 1976-08-17 | — | — | US | disclosed |