Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 5/20 | 0.40 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | RHOC | P08134 | 1/20 | 0.38 |
| ▸ | RHOA | P61586 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4781085 | 0.83 | TACR1 (0.40) | TACR1TSHRHSD17B10ALDH1A1RHOC | |
| SCHEMBL4782716 | 0.83 | TACR1 (0.40) | TACR1TRPM8SMN1; SMN2TSHRCYP2D6 | |
| SCHEMBL4783999 | 0.72 | KDM4E (0.50) | TACR1TSHRHSD17B10ALDH1A1RHOC | |
| SCHEMBL4783091 | 0.71 | ALDH1A1 (0.41) | TACR1SMN1; SMN2ALDH1A1RHOCRHOA | |
| SCHEMBL4784173 | 0.70 | ALDH1A1 (0.39) | TACR1ALDH1A1HPGDRHOCRHOA | |
| SCHEMBL4781278 | 0.69 | ALDH1A1 (0.38) | SMN1; SMN2ALDH1A1PROKR1 | |
| SCHEMBL4785528 | 0.69 | TACR1 (0.46) | TACR1TRPM8TSHRHSD17B10RHOC | |
| SCHEMBL4783584 | 0.69 | TRPV1 (0.46) | TRPM8ALDH1A1TRPV1 | |
| SCHEMBL5553243 | 0.65 | CYP3A4 (0.48) | TACR1SMN1; SMN2TSHRCYP2D6HSD17B10 | |
| SCHEMBL13753509 | 0.64 | HPGD (0.56) | TACR1TSHRCYP2D6HPGDMAPK1 |
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-2008067222-A1 | HETEROCYCLIC MODULATORS OF TGR5 | KALYPSYS, INC. (US) | 2008-06-05 | — | — | WO | disclosed |
| WO-2008067222-A1 | HETEROCYCLIC MODULATORS OF TGR5 | KALYPSYS, INC. (US) | 2008-06-05 | — | — | WO | disclosed |