Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | MMP8 | P22894 | 1/20 | 0.45 |
| ▸ | MMP14 | P50281 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | CDC25B | P30305 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28126564 | 0.77 | ALDH1A1 (0.52) | CA12CA14CA2MMP2MMP9 | |
| SCHEMBL3296374 | 0.76 | KDM4E (0.37) | ALDH1A1TP53HPGDNPC1RAB9A | |
| SCHEMBL7567033 | 0.74 | CA12 (0.53) | CA12CA14CA2MMP2MMP9 | |
| SCHEMBL3297829 | 0.72 | ALDH1A1 (0.46) | CA12ALDH1A1CYP3A4TSHRHSD17B10 | |
| SCHEMBL3292777 | 0.70 | CYP3A4 (0.46) | CA2ALDH1A1CYP3A4HSD17B10HPGD | |
| SCHEMBL9518994 | 0.70 | CA12 (0.45) | CA12CA14CA2MMP2MMP9 | |
| SCHEMBL11767973 | 0.70 | MEN1 (0.49) | CA12CA14CA2MMP2MMP9 | |
| SCHEMBL3729317 | 0.69 | SLC6A4 (0.42) | ALDH1A1GAASLC6A4 | |
| SCHEMBL7629478 | 0.69 | CYP3A4 (0.51) | CA12CA14CA2MMP2MMP9 | |
| SCHEMBL7629487 | 0.69 | CYP3A4 (0.51) | CA12CA14CA2MMP2MMP9 |
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-7732365-B2 | Enantioselective amination and etherification | YALE UNIVERSITY (US) | 2010-06-08 | — | — | US | disclosed |
| US-20060199728-A1 | Enantioselective amination and etherification | YALE UNIVERSITY (US) | 2006-09-07 | — | — | US | disclosed |
| WO-2004024684-A2 | ENANTIOSELECTIVE AMINATION AND ETHERIFICATION | YALE UNIVERSITY (US) | 2004-03-25 | — | — | WO | disclosed |