Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.45 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | PPARD | Q03181 | 2/20 | 0.43 |
| ▸ | CRHBP | P24387 | 1/20 | 0.42 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6667989 | 0.83 | TSHR (0.49) | TSHRCYP2C19CYP1A2ALDH1A1KCNJ1 | |
| SCHEMBL3080086 | 0.83 | TSHR (0.49) | TSHRCYP2C19CYP1A2ALDH1A1KCNJ1 | |
| SCHEMBL75530 | 0.81 | LOXL2 (0.55) | TSHRCYP2C19CYP1A2ALDH1A1KCNJ1 | |
| SCHEMBL678471 | 0.80 | TSHR (0.52) | TSHRCYP2C19CYP1A2ALDH1A1KCNJ1 | |
| SCHEMBL27515138 | 0.79 | ALDH1A1 (0.54) | TSHRCYP2C19CYP1A2ALDH1A1LOXL2 | |
| SCHEMBL8896022 | 0.78 | ALDH1A1 (0.42) | TSHRCYP2C19CYP1A2ALDH1A1LOXL2 | |
| SCHEMBL1627332 | 0.78 | TSHR (0.53) | TSHRCYP2C19ALDH1A1LOXL2MAPK1 | |
| SCHEMBL6567845 | 0.78 | BLM (0.62) | TSHRCYP1A2ALDH1A1TDP1MAPK1 | |
| SCHEMBL20347417 | 0.77 | PPARG (0.43) | TSHRCYP2C19CYP1A2ALDH1A1KCNJ1 | |
| SCHEMBL5360398 | 0.77 | SMN1; SMN2 (0.53) | CYP2C19CYP1A2ALDH1A1MAPK1CES1 |
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-0126587-B1 | Carboxylic thio-pyrrolidinyl beta-lactam compounds and production thereof | SUMITOMO PHARMA (JP) | 1995-04-19 | — | — | EP | disclosed |