Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 5/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | KDM6B | O15054 | 1/20 | 0.36 |
| ▸ | KDM4A | O75164 | 1/20 | 0.36 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.36 |
| ▸ | HIF1AN | Q9NWT6 | 1/20 | 0.36 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.33 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL6469854 | 0.86 | HCAR2 (0.44) | HTTHCAR2KDM4EKDM6BKDM4A | |
| SCHEMBL13646746 | 0.79 | HCAR2 (0.41) | HCAR2KDM4ECYP2C19HSD17B10ALDH1A1 | |
| SCHEMBL5870591 | 0.77 | HCAR2 (0.38) | HCAR2KDM4ECYP2C19HSD17B10PIN1 | |
| Formamide SCHEMBL5870611 | 0.77 | HCAR2 (0.39) | HCAR2CYP2C19HSD17B10PIN1 | |
| SCHEMBL9879081 | 0.72 | HTT (0.49) | HTTKDM4ECYP2C19ALDH1A1MAPT | |
| SCHEMBL5870589 | 0.69 | CYP2C19 (0.65) | HCAR2KDM4ECYP2C19HSD17B10ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5869997 | 0.68 | CYP2C19 (0.62) | HCAR2KDM4ECYP2C19HSD17B10ALDH1A1 | |
| SCHEMBL15335687 | 0.67 | KDM6B (0.44) | HTTKDM4EKDM6BKDM4AKDM4D | |
| SCHEMBL28211381 | 0.67 | HCAR2 (0.45) | HCAR2ALDH1A1HAO1GPR84 | |
| SCHEMBL7426789 | 0.66 | HCAR2 (0.44) | HCAR2KDM4ECYP2C19HSD17B10HAO1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005011609-A2 | TRIAZOLOPURINE-BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-02-10 | — | — | WO | disclosed |
| WO-2004075846-A2 | PYRAZOLOPURINE-BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-09-10 | — | — | WO | disclosed |