Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 1/20 | 0.42 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.39 |
| ▸ | TACR1 | P25103 | 1/20 | 0.37 |
| ▸ | TACR3 | P29371 | 1/20 | 0.37 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
| ▸ | VNN1 | O95497 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27689604 | 0.73 | ALDH1A1 (0.51) | RIPK1TACR1ANO1ALDH1A1MAOB | |
| SCHEMBL29253769 | 0.72 | RIPK1 (0.50) | CTSSCTSKRIPK1TACR1TACR3 | |
| SCHEMBL29253671 | 0.72 | RIPK1 (0.50) | CTSSCTSKRIPK1TACR1TACR3 | |
| SCHEMBL4663069 | 0.72 | CTSS (0.57) | CTSSCTSKSCN9APTPN1 | |
| SCHEMBL890178 | 0.71 | CTSS (0.42) | CTSSCTSKALDH1A1MAOBLMNA | |
| SCHEMBL19544604 | 0.70 | TAAR1 (0.41) | RIPK1ALDH1A1MAOBLMNAPPARG | |
| SCHEMBL14282769 | 0.69 | DPP4 (0.54) | — | |
| SCHEMBL29060746 | 0.69 | CTSK (0.47) | CTSSCTSKTACR3SCN9AMAPT | |
| SCHEMBL14716956 | 0.68 | CTSK (0.49) | CTSSCTSKTACR3ALDH1A1SCN9A | |
| SCHEMBL19544601 | 0.68 | RIPK1 (0.40) | CTSSCTSKRIPK1ALDH1A1MAOB |
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 |
|---|---|---|---|---|---|---|---|
| CN-101005835-A | 1-[(3r)-amino-4-(2-fluoro-phenyl)-butyl]-pyrrolidine-(2r)-carboxylic acid-benzyl amine derivatives and related compounds as dipeptidyl-peptidase iv (dpp-iv) inhibitors for the treatment of type 2 diab | SANTHERA PHARMACEUTICALS CH (CH) | 2007-07-25 | — | — | CN | disclosed |