Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | THRB | P10828 | 2/20 | 0.46 |
| ▸ | BLM | P54132 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.39 |
| ▸ | ERN1 | O75460 | 1/20 | 0.39 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.39 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4784857 | 0.81 | ALDH1A1 (0.44) | ALDH1A1MEN1KMT2AMAPTTHRB | |
| SCHEMBL28329244 | 0.81 | ALDH1A1 (0.53) | ALDH1A1MEN1KMT2AMAPTBLM | |
| SCHEMBL3580491 | 0.80 | ALDH1A1 (0.53) | ALDH1A1MEN1KMT2AMAPTTHRB | |
| SCHEMBL28162837 | 0.79 | TYR (0.54) | ALDH1A1MEN1KMT2AMAPTTHRB | |
| SCHEMBL28034745 | 0.79 | HTR2A (0.44) | ALDH1A1HTTERN1TRIM24TYR | |
| SCHEMBL4981765 | 0.79 | HTT (0.66) | ALDH1A1MEN1KMT2AMAPTTHRB | |
| SCHEMBL18818104 | 0.77 | ALDH1A1 (0.53) | ALDH1A1MEN1KMT2AMAPTTHRB | |
| SCHEMBL29559621 | 0.77 | ALDH1A1 (0.50) | ALDH1A1MEN1KMT2AMAPTTHRB | |
| SCHEMBL21042111 | 0.77 | TDP1 (0.45) | ALDH1A1THRBTDP1SMN1; SMN2CYP3A4 | |
| SCHEMBL22897598 | 0.77 | ALDH1A1 (0.50) | ALDH1A1MEN1KMT2AMAPTTHRB |
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 |
|---|---|---|---|---|---|---|---|
| EP-2004615-A2 | QUINAZOLINES FOR PDK1 INHIBITION | Novartis AG (CH) | 2008-12-24 | — | — | EP | disclosed |
| WO-2007117607-A9 | QUINAZOLINES FOR PDK1 INHIBITION | NOVARTIS VACCINES & DIAGNOSTIC (US) | 2008-03-06 | — | — | WO | disclosed |
| WO-2007117607-A2 | QUINAZOLINES FOR PDK1 INHIBITION | NOVARTIS AG (CH) | 2007-10-18 | — | — | WO | disclosed |