Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | HSPB1 | P04792 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3719513 | 0.88 | AKR1C3 (0.44) | TDP1LOXL2AKR1C3AKR1C2HTT | |
| SCHEMBL4477360 | 0.85 | AKR1C3 (0.44) | TDP1AKR1C3AKR1C2HTTCA1 | |
| SCHEMBL28040904 | 0.83 | AKR1C3 (0.44) | TDP1AKR1C3AKR1C2HTTMEN1 | |
| SCHEMBL14744323 | 0.83 | PTPRC (0.40) | AKR1C3AKR1C2HSPB1MEN1MAPT | |
| SCHEMBL8163363 | 0.81 | NPBWR1 (0.44) | TDP1AKR1C3AKR1C2HTTMEN1 | |
| SCHEMBL9367150 | 0.80 | AKR1C3 (0.50) | TDP1AKR1C3AKR1C2HTTHSPB1 | |
| SCHEMBL7681001 | 0.80 | TDP1 (0.63) | TDP1AKR1C3AKR1C2HTTHSPB1 | |
| SCHEMBL2586412 | 0.80 | TDP1 (0.63) | TDP1HTTPOLBMEN1MAPT | |
| SCHEMBL16923592 | 0.78 | HTT (0.62) | TDP1AKR1C3AKR1C2HTTCA1 | |
| SCHEMBL30062398 | 0.78 | HSPB1 (0.56) | TDP1AKR1C3AKR1C2HTTPOLB |
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-2008079836-A2 | MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-07-03 | — | — | WO | disclosed |