Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 4/20 | 0.37 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.37 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL304892 | 0.92 | TSHR (0.48) | TSHRMAOAMAOBHSP90AB1ALDH1A1 | |
| SCHEMBL28285107 | 0.81 | PGR (0.36) | TSHRMAOAMAOBHSP90AB1ALDH1A1 | |
| SCHEMBL12496594 | 0.77 | CYP11B1 (0.54) | TSHRALDH1A1KDM4EMEN1HPGD | |
| SCHEMBL30283688 | 0.75 | TSHR (0.48) | TSHRMAOAMAOBHSP90AB1ALDH1A1 | |
| SCHEMBL101523 | 0.75 | TSHR (0.48) | TSHRMAOAMAOBHSP90AB1ALDH1A1 | |
| SCHEMBL16824548 | 0.74 | MAOA (0.41) | MAOAMAOBALDH1A1HPGDAR | |
| SCHEMBL28286565 | 0.74 | MAOA (0.41) | MAOAMAOBALDH1A1HPGDAR | |
| SCHEMBL4377219 | 0.73 | AR (0.53) | ALDH1A1KDM4EMEN1HPGDKMT2A | |
| SCHEMBL573864 | 0.72 | MAOB (0.53) | MAOAMAOBALDH1A1KDM4EAR | |
| SCHEMBL8404532 | 0.72 | CYP1A2 (0.42) | TSHRHSP90AB1ALDH1A1KDM4EMEN1 |
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-108017614-A | DPP-4 inhibitor and its application in treatment diabetes B medicine is prepared | 中国科学院海洋研究所 | 2018-05-11 | — | — | CN | disclosed |