Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.41 |
| ▸ | KCNJ6 | P48051 | 1/20 | 0.41 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.41 |
| ▸ | CDC7 | O00311 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CD38 | P28907 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 2/20 | 0.39 |
| ▸ | NNMT | P40261 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.36 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL30359424 | 0.81 | PARP1 (0.43) | PARP1CD38SYKNNMT | |
| SCHEMBL19121329 | 0.81 | TRPV1 (0.39) | PARP1CDC7KDM4EMEN1MAPT | |
| SCHEMBL4153908 | 0.78 | NNMT (0.47) | CDC7KDM4EMEN1MAPTKMT2A | |
| SCHEMBL3094972 | 0.77 | KDM4E (0.40) | PARP1KCNJ6KCNJ3CDC7KDM4E | |
| SCHEMBL28751788 | 0.76 | PARP1 (0.49) | PARP1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL4329258 | 0.74 | MAPT (0.42) | CDC7KDM4EMEN1MAPTKMT2A | |
| SCHEMBL3081873 | 0.74 | PARP10 (0.38) | CAMKK2CDC7KDM4EMEN1MAPT | |
| SCHEMBL4414124 | 0.73 | PARP1 (0.46) | PARP1HSD11B1CDC7KDM4EMEN1 | |
| SCHEMBL29908356 | 0.73 | PARP1 (0.46) | PARP1HSD11B1CDC7KDM4EMEN1 | |
| SCHEMBL13460302 | 0.73 | MKNK1 (0.43) | PARP1SYKNNMTPARP10CNR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3774739-B1 | FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST | RAQUALIA PHARMA INC (JP) | 2022-05-11 | — | — | EP | disclosed |