Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.49 |
| ▸ | FEN1 | P39748 | 1/20 | 0.49 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.48 |
| ▸ | JAK2 | O60674 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.44 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.41 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.41 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10919848 | 0.85 | ALDH1A1 (0.57) | TSHRERCC5FEN1CXCL12ALDH1A1 | |
| SCHEMBL10919845 | 0.85 | ALDH1A1 (0.57) | TSHRERCC5FEN1CXCL12ALDH1A1 | |
| SCHEMBL11221211 | 0.82 | ALDH1A1 (0.47) | TSHRALDH1A1P2RX7CES2CES1 | |
| SCHEMBL11221208 | 0.82 | ALDH1A1 (0.47) | TSHRALDH1A1P2RX7CES2CES1 | |
| SCHEMBL27741821 | 0.81 | MAPT (0.60) | TSHRCXCL12ALDH1A1MAPTKMT2A | |
| SCHEMBL8723935 | 0.79 | TSHR (0.61) | TSHRERCC5FEN1CXCL12JAK2 | |
| SCHEMBL5272752 | 0.76 | TSHR (0.58) | TSHRERCC5FEN1CXCL12JAK2 | |
| SCHEMBL5272753 | 0.76 | TSHR (0.58) | TSHRERCC5FEN1CXCL12JAK2 | |
| SCHEMBL97298 | 0.76 | TSHR (1.00) | TSHRERCC5FEN1JAK2ALDH1A1 | |
| SCHEMBL29904615 | 0.76 | TSHR (1.00) | TSHRERCC5FEN1JAK2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2308847-A1 | Substituted pyridines as inhibitors of dipeptidyl peptidase IV and their application for the treatment of diabetes and related diseases | EMC microcollections GmbH (DE) | 2011-04-13 | — | — | EP | disclosed |