Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.68 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.68 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.48 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.48 |
| ▸ | DRD1 | P21728 | 1/20 | 0.47 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.45 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.45 |
| ▸ | ERN1 | O75460 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL23918546 | 0.95 | ALDH1A1 (0.61) | ALDH1A1CYP2A6HDAC8HDAC6HDAC3 | |
| SCHEMBL7750911 | 0.94 | ALDH1A1 (0.76) | ALDH1A1CYP2A6ALDH1A3ALDH3A1CYP2A13 | |
| SCHEMBL1128183 | 0.94 | ALDH1A1 (0.76) | ALDH1A1CYP2A6ALDH1A3ALDH3A1CYP2A13 | |
| SCHEMBL15496859 | 0.94 | CYP2A6 (0.59) | ALDH1A1CYP2A6ALDH1A3ALDH3A1DRD1 | |
| SCHEMBL14452808 | 0.94 | ALDH1A1 (0.59) | ALDH1A1CYP2A6ALDH1A3ALDH3A1DRD1 | |
| SCHEMBL19892327 | 0.94 | CYP2A6 (0.59) | ALDH1A1CYP2A6ALDH1A3ALDH3A1DRD1 | |
| SCHEMBL19275027 | 0.94 | ALDH1A1 (0.59) | ALDH1A1CYP2A6ALDH1A3ALDH3A1DRD1 | |
| SCHEMBL23918295 | 0.89 | ALDH1A1 (0.68) | ALDH1A1CYP2A6ALDH1A3ALDH3A1LMNA | |
| SCHEMBL21738402 | 0.89 | ALDH1A1 (0.68) | ALDH1A1CYP2A6ALDH1A3ALDH3A1LMNA | |
| SCHEMBL23908231 | 0.89 | ALDH1A1 (0.68) | ALDH1A1CYP2A6ALDH1A3ALDH3A1LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015161989-A1 | HOLE-TRANSPORT MATERIALS FOR ORGANIC SOLAR CELLS OR ORGANIC OPTICAL SENSORS | BASF SE (DE) | 2015-10-29 | — | — | WO | disclosed |
| WO-2015161989-A1 | HOLE-TRANSPORT MATERIALS FOR ORGANIC SOLAR CELLS OR ORGANIC OPTICAL SENSORS | BASF SE (DE) | 2015-10-29 | — | — | WO | disclosed |
| EP-2937399-A1 | Hole-transport materials for organic solar cells or organic optical sensors | BASF SE (DE) | 2015-10-28 | — | — | EP | disclosed |
| EP-2937399-A1 | Hole-transport materials for organic solar cells or organic optical sensors | BASF SE (DE) | 2015-10-28 | — | — | EP | disclosed |