Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.39 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.39 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.38 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.38 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27977548 | 0.82 | CHRNB2 (0.43) | CA1CA2ALOX15TSHRATM | |
| SCHEMBL4889972 | 0.82 | CA1 (0.40) | CA1CA2TSHRCYP3A4ATM | |
| SCHEMBL27622529 | 0.82 | TSHR (0.47) | CA1CA2TSHRCYP3A4ATM | |
| SCHEMBL29102680 | 0.81 | — | — | |
| SCHEMBL29102681 | 0.81 | — | — | |
| SCHEMBL396751 | 0.80 | GSR (0.45) | ALOX15DPP7 | |
| SCHEMBL3365888 | 0.80 | S1PR2 (0.46) | CA1CA2SLC1A2SLC1A1ALDH1A1 | |
| SCHEMBL6908143 | 0.80 | CA2 (0.44) | CA1CA2ALOX15TSHRCYP3A4 | |
| Hydrochloric Acid SCHEMBL28668240 | 0.79 | ALOX15 (0.50) | CA1CA2ALOX15TSHRCYP3A4 | |
| SCHEMBL467542 | 0.78 | CYP3A4 (0.66) | CA1CA2TSHRCYP3A4ATM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101821263-B | Dipeptoid prodrugs and the use thereof | BAYER IP GMBH | 2014-04-02 | — | — | CN | disclosed |
| CN-101821263-A | Dipeptoid prodrugs and the use thereof | BAYER HEALTHCARE AG | 2010-09-01 | — | — | CN | disclosed |