Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.42 |
| ▸ | GAA | P10253 | 6/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | RECQL | P46063 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 8/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.42 |
| ▸ | LMNA | P02545 | 5/20 | 0.42 |
| ▸ | MEN1 | O00255 | 7/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9056483 | 1.00 | ALDH1A1 (0.42) | ALDH1A1GAATDP1RECQLCYP3A4 | |
| SCHEMBL166219 | 1.00 | ALDH1A1 (0.42) | ALDH1A1GAATDP1RECQLCYP3A4 | |
| SCHEMBL162884 | 0.74 | NPC1 (0.48) | ALDH1A1GAATDP1KDM4EMAPT | |
| SCHEMBL55517 | 0.74 | NPC1 (0.48) | ALDH1A1GAATDP1KDM4EMAPT | |
| SCHEMBL922216 | 0.73 | MAPT (0.43) | ALDH1A1GAATDP1CYP3A4MAPT | |
| SCHEMBL922215 | 0.73 | MAPT (0.43) | ALDH1A1GAATDP1CYP3A4MAPT | |
| SCHEMBL27608360 | 0.70 | MAPT (0.43) | ALDH1A1GAATDP1RECQLCYP3A4 | |
| SCHEMBL27726055 | 0.70 | MEN1 (0.44) | ALDH1A1GAATDP1RECQLCYP3A4 | |
| SCHEMBL13668059 | 0.70 | MEN1 (0.44) | ALDH1A1GAATDP1RECQLCYP3A4 | |
| SCHEMBL922314 | 0.70 | MAPT (0.48) | ALDH1A1GAATDP1CYP3A4MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1996015107-A1 | DITHIOCARBAMATE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 1996-05-23 | — | — | WO | disclosed |