Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP15 | Q460N3 | 1/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.41 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | CTSC | P53634 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17698403 | 0.80 | ALDH1A1 (0.41) | PARP10CYP19A1POLBLMNARAB9A | |
| SCHEMBL3812202 | 0.79 | HSD11B1 (0.43) | — | |
| SCHEMBL3813595 | 0.79 | ALDH1A1 (0.36) | CA1CA2POLBLMNANPC1 | |
| SCHEMBL24616687 | 0.79 | CA1 (0.35) | CA1CA2CYP19A1LMNAPGR | |
| SCHEMBL27920662 | 0.79 | PGR (0.39) | CA1CA2CYP19A1PGRNPC1 | |
| SCHEMBL26135641 | 0.78 | AKR1C1 (0.44) | — | |
| SCHEMBL1904598 | 0.78 | CYP3A4 (0.34) | — | |
| SCHEMBL16495248 | 0.77 | PTGDR2 (0.41) | CA1CA2CYP19A1LMNAMMP2 | |
| SCHEMBL1900928 | 0.76 | RAB9A (0.36) | LMNARAB9A | |
| SCHEMBL24397821 | 0.76 | SIGMAR1 (0.35) | CA1CA2POLBLMNAPGR |
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-2008070041-A2 | INHIBITORS OF AKT ACTIVITY | MERCK & CO., INC. (US) | 2008-06-12 | — | — | WO | disclosed |