Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | TNKS | O95271 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.33 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.32 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.32 |
| ▸ | FEN1 | P39748 | 1/20 | 0.32 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12410494 | 0.64 | TYMP (0.38) | — | |
| SCHEMBL11948692 | 0.62 | — | — | |
| SCHEMBL29026782 | 0.59 | — | — | |
| SCHEMBL20631047 | 0.58 | HTR2A (0.62) | ALDH1A1MEN1MAPK1KMT2AHTR2A | |
| SCHEMBL2284623 | 0.58 | PARP1 (0.43) | ALDH1A1MEN1MAPK1KMT2AHTR2A | |
| SCHEMBL3233768 | 0.58 | ALDH1A1 (1.00) | ALDH1A1MEN1MAPK1KMT2ATNKS | |
| SCHEMBL12605413 | 0.58 | HTR2A (0.45) | ALDH1A1MEN1MAPK1KMT2AHTR2A | |
| SCHEMBL2435365 | 0.56 | PARP1 (0.42) | ALDH1A1MEN1MAPK1KMT2ATNKS | |
| SCHEMBL29913244 | 0.55 | AHR (0.36) | ALDH1A1HTR2CPARP1KDM4E | |
| SCHEMBL30189731 | 0.55 | GPR3 (0.40) | ALDH1A1KDM4E |
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-2009125191-A1 | BENZENE DERIVATIVES | UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) | 2009-10-15 | — | — | WO | disclosed |