Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4A | O75164 | 1/20 | 0.44 |
| ▸ | KDM4B | O94953 | 1/20 | 0.44 |
| ▸ | KDM5C | P41229 | 1/20 | 0.44 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.44 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.44 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 7/20 | 0.42 |
| ▸ | SRC | P12931 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | PDPK1 | O15530 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| SCHEMBL20187523 | 0.77 | PARP1 (0.59) | KDM4AKDM4BKDM5CKDM4CKDM5B | |
| SCHEMBL3051495 | 0.77 | PARP1 (0.63) | PARP1SRCKMT2AEGFRPDPK1 | |
| SCHEMBL29609262 | 0.75 | PDE3B (0.50) | PARP1SRCKMT2APDPK1SMN1; SMN2 | |
| SCHEMBL615784 | 0.75 | PDE3B (0.50) | PARP1SRCKMT2APDPK1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL15711283 | 0.75 | PARP1 (0.61) | PARP1SRCKMT2AEGFRPDPK1 | |
| SCHEMBL31204498 | 0.74 | CHEK1 (0.44) | PARP1SRCKMT2AEGFRPDPK1 | |
| SCHEMBL15710544 | 0.74 | PARP1 (0.44) | PARP1SRCKMT2AEGFRPDPK1 | |
| SCHEMBL30353912 | 0.74 | PARP1 (0.44) | PARP1SRCKMT2AEGFRPDPK1 | |
| SCHEMBL17164000 | 0.74 | KDM4A (0.47) | KDM4AKDM4BKDM5CKDM4CKDM5B | |
| Hydrochloric Acid SCHEMBL28100847 | 0.73 | PARP1 (0.43) | PARP1SRCKMT2AEGFRPDPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009154870-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2009-12-23 | — | — | WO | disclosed |
| WO-2009154870-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2009-12-23 | — | — | WO | disclosed |