Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 11/20 | 0.52 |
| ▸ | DRD4 | P21917 | 11/20 | 0.52 |
| ▸ | DRD3 | P35462 | 11/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.43 |
| ▸ | HTR3B | O95264 | 1/20 | 0.43 |
| ▸ | HTR3A | P46098 | 1/20 | 0.43 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7505996 | 0.85 | KDM4E (0.46) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7506673 | 0.83 | DRD2 (0.46) | DRD2ALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL19823041 | 0.82 | RAB9A (0.55) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5077376 | 0.81 | GAA (0.45) | DRD2DRD4DRD3POLB | |
| SCHEMBL7508321 | 0.81 | HRH3 (0.48) | DRD2DRD3ALDH1A1KDM4ENPC1 | |
| SCHEMBL7510832 | 0.81 | ALDH1A1 (0.49) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5252888 | 0.79 | MEN1 (0.42) | DRD2DRD4DRD3KDM4ENPC1 | |
| SCHEMBL7551994 | 0.76 | RAB9A (0.49) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL13490557 | 0.75 | DRD2 (0.59) | DRD2DRD4DRD3ACHEMEN1 | |
| SCHEMBL13490648 | 0.73 | DRD2 (0.60) | DRD2DRD4DRD3ACHEMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1257551-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS PARP INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2002-11-20 | — | — | EP | disclosed |
| WO-2001057038-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS PARP INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2001-08-09 | — | — | WO | disclosed |