Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 2/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.43 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | GNRHR | P30968 | 3/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5300289 | 0.96 | DGAT1 (0.42) | DRD4MAPTTSHRMAPK1HTR2A | |
| SCHEMBL5251237 | 0.88 | GNRHR (0.44) | MAPTHTR2ADHODHGNRHRKDM4E | |
| SCHEMBL5250582 | 0.86 | DRD2 (0.45) | HTR2ADHODHGNRHRDRD2DRD3 | |
| SCHEMBL5076369 | 0.86 | DHODH (0.53) | DRD4MAPTTSHRMAPK1HTR2A | |
| SCHEMBL5256363 | 0.84 | CHEK1 (0.47) | MAPTDHODHKDM4EALDH1A1DRD2 | |
| SCHEMBL5251170 | 0.84 | DRD2 (0.47) | HTR2AGNRHRKDM4EDRD2DRD3 | |
| SCHEMBL5077273 | 0.83 | DHODH (0.49) | DRD4HTR2AHDAC3HDAC4HDAC1 | |
| SCHEMBL5248183 | 0.82 | TLR9 (0.42) | TSHRDHODHKDM4EALDH1A1 | |
| SCHEMBL5255275 | 0.82 | TLR9 (0.46) | MAPTDHODHKDM4EALDH1A1 | |
| SCHEMBL5253308 | 0.81 | HRH3 (0.45) | HTR2AGNRHRDRD2DRD3 |
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-1257551-B1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS PARP INHIBITORS | ABBOTT GMBH & CO KG (DE) | 2007-09-05 | — | — | EP | disclosed |