Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.36 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | F7 | P08709 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14551027 | 0.78 | DPP4 (0.46) | TAAR1HRH3DPP4DPP9CYP2D6 | |
| Hydrochloric Acid SCHEMBL14483343 | 0.77 | DPP4 (0.45) | TAAR1HRH3DPP4DPP9CYP2D6 | |
| Hydrochloric Acid SCHEMBL14483346 | 0.77 | DPP4 (0.45) | TAAR1HRH3DPP4DPP9CYP2D6 | |
| Hydrochloric Acid SCHEMBL14483339 | 0.77 | DPP4 (0.45) | TAAR1HRH3DPP4DPP9CYP2D6 | |
| SCHEMBL6169489 | 0.70 | AGER (0.47) | TSHRGAADPP4DPP9DPP7 | |
| SCHEMBL6169940 | 0.68 | TDP1 (0.50) | TSHRGAATP53HSD17B10L3MBTL1 | |
| SCHEMBL27978853 | 0.66 | L3MBTL1 (0.59) | TSHRGAANPSR1USP2TP53 | |
| SCHEMBL13716052 | 0.65 | ALDH1A1 (0.60) | GAAMAPK1HTT | |
| SCHEMBL29775954 | 0.64 | TSHR (0.52) | TSHRGAADPP4DPP9DPP7 | |
| SCHEMBL4737580 | 0.64 | AGER (0.51) | TSHRGAANPSR1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008077597-A1 | 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS | NOVARTIS AG (CH) | 2008-07-03 | — | — | WO | disclosed |