Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR3 | P49682 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CCR5 | P51681 | 4/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2993037 | 0.89 | HTT (0.33) | CXCR3MEN1TSHRKMT2AALDH1A1 | |
| SCHEMBL3002193 | 0.88 | CCR5 (0.40) | CXCR3CCR5 | |
| SCHEMBL2989173 | 0.85 | CCR5 (0.35) | MEN1TSHRKMT2ACCR5CYP2D6 | |
| SCHEMBL3926088 | 0.83 | CXCR3 (0.41) | CXCR3CCR5CYP2D6RIPK1CHRM2 | |
| SCHEMBL1797763 | 0.81 | CYP2D6 (0.51) | CXCR3MEN1TSHRKMT2ACCR5 | |
| SCHEMBL4006029 | 0.81 | CYP3A4 (0.55) | MEN1TSHRKMT2ACYP2D6ALDH1A1 | |
| SCHEMBL1800751 | 0.81 | CYP3A4 (0.55) | MEN1TSHRKMT2ACYP2D6ALDH1A1 | |
| Hydrochloric Acid SCHEMBL1800654 | 0.80 | CYP2D6 (0.50) | CXCR3MEN1TSHRKMT2ACCR5 | |
| Hydrochloric Acid SCHEMBL1802546 | 0.80 | CYP3A4 (0.54) | MEN1TSHRKMT2ACYP2D6ALDH1A1 | |
| SCHEMBL3918198 | 0.80 | GAA (0.41) | CXCR3CCR5CYP2D6RIPK1ALDH1A1 |
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-1730147-B1 | SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY | GRUENENTHAL GMBH (DE) | 2010-02-03 | — | — | EP | claimed |