Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TIPARP | Q7Z3E1 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.40 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.39 |
| ▸ | PDE2A | O00408 | 1/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15776946 | 0.89 | TIPARP (0.43) | TIPARPCYP3A4GRM2PDE2AKIF11 | |
| SCHEMBL15777255 | 0.82 | CA12 (0.42) | TIPARPPDE3BPDE3ACA12CA2 | |
| SCHEMBL15775552 | 0.81 | CYP11B2 (0.42) | TIPARPCYP3A4PDE3BPDE3ATSHR | |
| SCHEMBL30822812 | 0.70 | CA12 (0.49) | CYP3A4CA12CA2CA9 | |
| SCHEMBL15775155 | 0.70 | CYP11B2 (0.46) | TIPARPCYP3A4PDE3BPDE3ATSHR | |
| SCHEMBL4987770 | 0.68 | MITF (0.40) | TIPARPCYP3A4PDE3BPDE3A | |
| SCHEMBL4323285 | 0.65 | CYP1A2 (0.53) | PDE3BPDE3ACYP1A2 | |
| SCHEMBL29792666 | 0.65 | CYP1A2 (0.53) | PDE3BPDE3ACYP1A2 | |
| SCHEMBL30947594 | 0.63 | CYP11B2 (0.41) | TIPARPPDE3BPDE3AHDAC1HDAC2 | |
| SCHEMBL28650484 | 0.62 | CA12 (0.65) | CYP3A4GRM2CA12CA2CA9 |
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-2014087165-A1 | TANKYRASE INHIBITORS | UNIVERSITY OF BATH (GB) | 2014-06-12 | — | — | WO | disclosed |