Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4107701 | 0.81 | CYP1A2 (0.52) | CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL3627973 | 0.81 | ALDH1A1 (0.40) | ALDH1A1KDM4EHPGDHTTHSD17B10 | |
| SCHEMBL1752519 | 0.80 | GRM1 (0.59) | CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL3113133 | 0.80 | ALDH1A1 (0.39) | ALDH1A1KDM4EHPGDHTTHSD17B10 | |
| SCHEMBL11649335 | 0.80 | CYP1A2 (0.50) | CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL8540178 | 0.80 | RAB9A (0.54) | ALDH1A1HPGDKMT2ALMNAMAPT | |
| SCHEMBL24392401 | 0.79 | CYP1A2 (0.49) | CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL16115982 | 0.79 | CYP1A2 (0.49) | CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL26111620 | 0.79 | CYP1A2 (0.49) | CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL2576551 | 0.79 | ALDH1A1 (0.47) | CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E |
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-2003020877-A2 | STAINING AND SORTING GENOMES AND CHROMOSOMES USING SEQUENCE-SPECIFIC POLYAMIDES | PHARMACIA CORPORATION (US) | 2003-03-13 | — | — | WO | disclosed |