Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | PHGDH | O43175 | 2/20 | 0.44 |
| ▸ | DRD2 | P14416 | 4/20 | 0.44 |
| ▸ | DRD3 | P35462 | 4/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | XBP1 | P17861 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 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 | |
|---|---|---|---|---|
| SCHEMBL4610058 | 1.00 | DHFR (0.46) | DHFRKDM4EPOLBPHGDHDRD2 | |
| Hydrochloric Acid SCHEMBL7070981 | 0.99 | DHFR (0.45) | DHFRKDM4EPOLBPHGDHDRD2 | |
| Hydrochloric Acid SCHEMBL4609800 | 0.99 | DHFR (0.45) | DHFRKDM4EPOLBPHGDHDRD2 | |
| Hydrochloric Acid SCHEMBL7070972 | 0.99 | DHFR (0.45) | DHFRKDM4EPOLBPHGDHDRD2 | |
| Hydrochloric Acid SCHEMBL4609803 | 0.99 | DHFR (0.45) | DHFRKDM4EPOLBPHGDHDRD2 | |
| SCHEMBL4608279 | 0.83 | DRD2 (0.53) | DRD2DRD3ADRA1AHRH4HTR1A | |
| SCHEMBL8560485 | 0.74 | SIGMAR1 (0.56) | DHFRKDM4EPOLBHTR1AMAPT | |
| SCHEMBL8560489 | 0.74 | SIGMAR1 (0.56) | DHFRKDM4EPOLBHTR1AMAPT | |
| SCHEMBL8577276 | 0.70 | SIGMAR1 (0.60) | KDM4EPOLBHTR1AMAPTLMNA | |
| SCHEMBL1733940 | 0.70 | SIGMAR1 (0.60) | KDM4EPOLBHTR1AMAPTLMNA |
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-1272187-B1 | DOPAMINE-D3 RECEPTOR LIGANDS FOR THE TREATMENT OF ADDICTION | ABBOTT GMBH & CO KG (DE) | 2008-07-30 | — | — | EP | claimed |