Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALKBH3 | Q96Q83 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.30 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.30 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.30 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.30 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.30 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.30 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL846656 | 0.85 | GABRA1 (0.33) | ALKBH3ALDH1A1RAB9ALMNAMAOA | |
| SCHEMBL2311541 | 0.81 | TDP1 (0.41) | ALDH1A1LMNAMEN1POLBMAPT | |
| SCHEMBL929896 | 0.81 | LMNA (0.38) | ALDH1A1LMNAMAOAMAOBCYP2A6 | |
| SCHEMBL6472594 | 0.79 | PSEN1 (0.35) | HTR2ASLC6A4KCNH2ALDH1A1 | |
| SCHEMBL9751714 | 0.78 | TRPA1 (0.43) | HTR2ASLC6A4KCNH2ALDH1A1LMNA | |
| SCHEMBL20551547 | 0.77 | HTT (0.42) | HTR2ASLC6A4KCNH2ALDH1A1CYP2A6 | |
| SCHEMBL3413433 | 0.77 | TDP1 (0.35) | ALDH1A1LMNAMAOAMAOBCYP2A6 | |
| SCHEMBL3411434 | 0.75 | ACHE (0.47) | ALDH1A1NPC1RAB9ALMNAHPGD | |
| SCHEMBL3248499 | 0.74 | PDE2A (0.42) | HTR2ASLC6A4KCNH2ALDH1A1LMNA | |
| SCHEMBL22445608 | 0.72 | ACP3 (0.39) | SLC6A4ALDH1A1LMNAMEN1MAPT |
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-2012076413-A1 | COMPOUND FOR THE TREATMENT OF TUMOURS AND TUMOUR METASTASES | SIENA BIOTECH S.P.A. (IT) | 2012-06-14 | — | — | WO | disclosed |