Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.53 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | VNN1 | O95497 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | PTPRA | P18433 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14167452 | 0.79 | CYP1A2 (0.57) | CYP1A2CTDSP1TSHRNLRP3P2RX7 | |
| SCHEMBL7986678 | 0.74 | CYP1A2 (0.54) | CYP1A2CTDSP1NLRP3P2RX7VNN1 | |
| SCHEMBL7979679 | 0.74 | CTDSP1 (0.44) | CYP1A2CTDSP1TSHRP2RX7VNN1 | |
| SCHEMBL12089089 | 0.74 | CYP1A2 (0.53) | CYP1A2CTDSP1NLRP3P2RX7VNN1 | |
| SCHEMBL24016471 | 0.71 | MTNR1A (0.47) | CYP1A2CTDSP1TSHRMEN1HPGD | |
| SCHEMBL18642985 | 0.71 | CTDSP1 (0.58) | CYP1A2CTDSP1TSHRNLRP3P2RX7 | |
| SCHEMBL2958712 | 0.71 | CYP1A2 (0.50) | CYP1A2CTDSP1NLRP3P2RX7VNN1 | |
| SCHEMBL20259699 | 0.70 | CTDSP1 (0.54) | CYP1A2CTDSP1NLRP3P2RX7VNN1 | |
| SCHEMBL24923647 | 0.69 | CYP1A2 (0.49) | CYP1A2CTDSP1NLRP3P2RX7VNN1 | |
| Acetic Acid SCHEMBL23877896 | 0.69 | CYP1A2 (0.53) | CYP1A2CTDSP1TSHRNLRP3P2RX7 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6174877-B1 | EXCELLANT BACTERICIDES, ORAL ABSORBABILITY AND STABILITY; IMPROVE THE STABILITY TO RENAL DEHYDROPEPTIDASE I (DHP-I); 2-(2-(N-HETEROCYCLIC-ETHYLTHIO-) DERIVATIVES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-01-16 | — | — | US | disclosed |
| EP-0876370-A1 | CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1998-11-11 | — | — | EP | disclosed |
| WO-1997025325-A1 | CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-07-17 | — | — | WO | disclosed |