Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCP | P55072 | 4/20 | 0.54 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.48 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.48 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1971749 | 0.90 | VCP (0.55) | VCPCYP19A1PTGS2GAATDP1 | |
| SCHEMBL1971750 | 0.90 | VCP (0.55) | VCPCYP19A1PTGS2GAATDP1 | |
| SCHEMBL11072474 | 0.82 | GAA (0.52) | VCPCYP19A1PTGS2GAATDP1 | |
| SCHEMBL31238218 | 0.80 | ALDH1A1 (0.64) | VCPCYP19A1PTGS2GAATDP1 | |
| SCHEMBL1245811 | 0.80 | ALDH1A1 (0.64) | VCPCYP19A1PTGS2GAATDP1 | |
| SCHEMBL10401115 | 0.80 | FBP1 (0.50) | CYP1A2ALDH1A1MAPTNPSR1HPGD | |
| SCHEMBL1245812 | 0.80 | ALDH1A1 (0.64) | VCPCYP19A1PTGS2GAATDP1 | |
| SCHEMBL16929944 | 0.80 | KDM4E (0.50) | VCPCYP19A1PTGS2GAATDP1 | |
| SCHEMBL16929943 | 0.80 | KDM4E (0.50) | VCPCYP19A1PTGS2GAATDP1 | |
| SCHEMBL12627883 | 0.79 | GAA (0.48) | VCPCYP19A1PTGS2GAATDP1 |
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-2009026961-A1 | PROCESSES FOR THE PREPARATION OF PANCRATISTATIN AND PANCRATISTATIN ANALOGUES | UNIVERSIDAD DE SANTIAGO DE COMPOSTELA (ES) | 2009-03-05 | — | — | WO | disclosed |