Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.40 |
| ▸ | C3AR1 | Q16581 | 1/20 | 0.39 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6820957 | 0.86 | ALDH1A1 (0.46) | ALDH1A1TSHR | |
| SCHEMBL6826045 | 0.78 | SSTR4 (0.39) | KDM4EALDH1A1 | |
| SCHEMBL20357412 | 0.78 | CHRM2 (0.50) | SIGMAR1HSD11B1CYP17A1CYP19A1ALDH1A1 | |
| SCHEMBL6826385 | 0.78 | SIGMAR1 (0.43) | SIGMAR1KDM4EALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL6828166 | 0.77 | HSD11B1 (0.40) | HSD11B1KDM4ECYP17A1CYP19A1ALDH1A1 | |
| SCHEMBL20357434 | 0.76 | CHRM2 (0.54) | SIGMAR1HDAC8HSD11B1CYP17A1CYP19A1 | |
| SCHEMBL6825996 | 0.75 | CHRM2 (0.42) | SIGMAR1ALDH1A1LMNATSHRHTT | |
| SCHEMBL6817016 | 0.74 | CHRNB2 (0.41) | HSD11B1KDM4ECYP17A1CYP19A1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL6919466 | 0.73 | DPP4 (0.51) | — | |
| SCHEMBL6820894 | 0.72 | KMT2A (0.52) | HSD11B1ALDH1A1TSHR |
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-2004048352-A2 | 2-CYANOPYRROLIDINES AND THEIR ANALOGUES AS DPP-IV INHIBITORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2004-06-10 | — | — | WO | disclosed |