Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B | P28222 | 2/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TRPM2 | O94759 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL5953133 | 0.85 | HTR1B (0.40) | HTR1BALDH1A1TSHRKDM4EHPGD | |
| SCHEMBL5952005 | 0.82 | KDM4E (0.44) | HTR1BALDH1A1TSHRKDM4EHPGD | |
| SCHEMBL5952349 | 0.79 | HPGD (0.44) | ALDH1A1TSHRKDM4EHPGDCYP1A2 | |
| SCHEMBL22635045 | 0.76 | CYP1A2 (0.43) | ALDH1A1TSHRKDM4EHPGDCYP1A2 | |
| SCHEMBL13383570 | 0.76 | ALDH1A1 (0.49) | HTR1BCA12CA3CA4CA6 | |
| SCHEMBL7784917 | 0.76 | TSHR (0.43) | ALDH1A1TSHRKDM4EHPGDCYP1A2 | |
| SCHEMBL7655382 | 0.75 | ALDH1A1 (0.36) | CA12CA4CA7CA9CA14 | |
| SCHEMBL2398660 | 0.75 | HTR1B (0.51) | HTR1BCA12CA3CA4CA6 | |
| SCHEMBL28932400 | 0.75 | TAAR1 (0.44) | ALDH1A1TSHRKDM4EHPGDCYP1A2 | |
| SCHEMBL28500816 | 0.73 | MAPK1 (0.47) | ALDH1A1TSHRKDM4EHPGDCYP1A2 |
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-1155698-A1 | ORGANOBORON COMPOUNDS EXHIBITING ANTICOCCIDIAL ACTIVITIES | Nitto Kasei Co., Ltd. (JP) | 2001-11-21 | — | — | EP | disclosed |