Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.53 |
| ▸ | CTSB | P07858 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL3718211 | 0.89 | ALDH1A1 (0.52) | ALDH1A1CYP3A4CTSBTDP1MAPT | |
| SCHEMBL13609636 | 0.89 | ALDH1A1 (0.52) | ALDH1A1CYP3A4CTSBTDP1MAPT | |
| Bromide SCHEMBL4266547 | 0.87 | ALDH1A1 (0.50) | ALDH1A1CYP3A4CTSBTDP1MAPT | |
| SCHEMBL11550471 | 0.84 | ALDH1A1 (0.52) | ALDH1A1CYP3A4CTSBTDP1MAPT | |
| SCHEMBL431211 | 0.84 | ALDH1A1 (0.47) | ALDH1A1CYP3A4CTSBTDP1MAPT | |
| SCHEMBL351739 | 0.84 | ALDH1A1 (0.47) | ALDH1A1CYP3A4CTSBTDP1MAPT | |
| SCHEMBL2800695 | 0.84 | CYP3A4 (0.52) | ALDH1A1CYP3A4CTSBTDP1MAPT | |
| SCHEMBL2249179 | 0.83 | ALDH1A1 (0.52) | ALDH1A1CYP3A4CTSBTDP1MAPT | |
| SCHEMBL1258484 | 0.83 | CYP3A4 (0.56) | ALDH1A1CYP3A4TDP1MAPTTSHR | |
| SCHEMBL30393904 | 0.83 | CYP3A4 (0.56) | ALDH1A1CYP3A4TDP1MAPTTSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-6136779-A | CONTACTING A CELL WHICH IS CAPABLE OF EXPRESSING THE GENE WITH AN AMOUNT OF A MOLECULE EFFECTIVE TO TRANSCRIPTIONALLY MODULATE EXPRESSION OF THE GENE AND THEREBY AFFECT THE LEVEL OF THE PROTEIN ENCODED BY THE GENE WHICH IS EXPRESSED BY THE | OSI PHARMACEUTICALS, INC. (US) | 2000-10-24 | — | — | US | disclosed |