Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.71 |
| ▸ | ALDH1A3 | P47895 | 4/20 | 0.71 |
| ▸ | ALDH3A1 | P30838 | 4/20 | 0.71 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.53 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 7/20 | 0.44 |
| ▸ | MEN1 | O00255 | 5/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | GFER | P55789 | 2/20 | 0.40 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10942535 | 0.92 | ALDH1A1 (0.83) | ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13 | |
| SCHEMBL11141925 | 0.85 | ALDH1A1 (0.71) | ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13 | |
| SCHEMBL195135 | 0.84 | ALDH1A1 (1.00) | ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13 | |
| SCHEMBL5733313 | 0.84 | ALDH1A1 (1.00) | ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13 | |
| SCHEMBL15364591 | 0.83 | ALDH1A1 (0.74) | ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13 | |
| Hydrochloric Acid SCHEMBL11145003 | 0.82 | ALDH1A1 (0.95) | ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13 | |
| SCHEMBL7249091 | 0.81 | ALDH1A1 (0.71) | ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13 | |
| SCHEMBL3190534 | 0.81 | ALDH1A1 (0.71) | ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13 | |
| SCHEMBL3689253 | 0.81 | CYP2A6 (0.57) | ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13 | |
| SCHEMBL11937051 | 0.80 | ALDH1A1 (0.91) | ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13 |
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 |
|---|---|---|---|---|---|---|---|
| US-4422969-A | FOR DYEING PAPER | BAYER AKTIENGESELLSCHAFT (DE) | 1983-12-27 | — | — | US | disclosed |
| US-4256458-A | DIMERIC PYRIDINIUM DYES | BASF AKTIENGESELLSCHAFT (DE) | 1981-03-17 | — | — | US | disclosed |
| US-3975379-A | METHINE | BAYER AKTIENGESELLSCHAFT (DT) | 1976-08-17 | — | — | US | disclosed |