Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MGAM | O43451 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SI | P14410 | 1/20 | 0.33 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.33 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Ether SCHEMBL8206941 | 0.82 | TP53 (0.40) | ALDH1A1TSHRLMNAHSD17B10TDP1 | |
| Ether SCHEMBL9806062 | 0.82 | ALDH1A1 (0.44) | ALDH1A1TSHRLMNAHSD17B10THRB | |
| Ether SCHEMBL6558590 | 0.82 | ALDH1A1 (0.39) | ALDH1A1TSHRLMNAHSD17B10THRB | |
| Ether SCHEMBL1234081 | 0.81 | ALDH1A1 (0.52) | ALDH1A1TSHRLMNAHSD17B10THRB | |
| Ether SCHEMBL164114 | 0.81 | — | — | |
| Ether SCHEMBL9353265 | 0.81 | ALDH1A1 (0.52) | ALDH1A1TSHRLMNAHSD17B10THRB | |
| Ether SCHEMBL3336965 | 0.81 | ALDH1A1 (0.52) | ALDH1A1TSHRLMNAHSD17B10THRB | |
| Ether SCHEMBL7531159 | 0.81 | ALDH1A1 (0.52) | ALDH1A1TSHRLMNAHSD17B10THRB | |
| Isobutyramide SCHEMBL28186567 | 0.80 | ALOX15 (0.43) | ALDH1A1TSHRLMNAHSD17B10THRB | |
| Ether SCHEMBL10532886 | 0.80 | ALDH1A1 (0.42) | ALDH1A1TSHRLMNAHSD17B10THRB |
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 |
|---|---|---|---|---|---|---|---|
| EP-3784238-A1 | PROCESS FOR PREPARATION OF ((3R,11BR)-1,3,4,6,7,11B-HEXAHYDRO-9,10-DI(METHOXY-D)-3-(2-METHYLPROPYL)-2H-BENZO[A]QUINOLIZIN-2-ONE | Hetero Labs Ltd. (IN) | 2021-03-03 | — | — | EP | claimed |
| US-20050044778-A1 | Fuel compositions employing catalyst combustion structure | OCTANE INTERNATIONAL, LTD. | 2005-03-03 | — | — | US | disclosed |