Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | CHUK | O15111 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.44 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.44 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.44 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.44 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.44 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | AR | P10275 | 1/20 | 0.44 |
| ▸ | MAP2 | P11137 | 4/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL21086289 | 0.83 | GRIN2D (0.49) | ALDH1A1KDM4ECHUKRXFP1GRIN2D | |
| SCHEMBL29655425 | 0.81 | CHUK (0.57) | ALDH1A1HSD17B10KDM4ECHUKRXFP1 | |
| SCHEMBL14292108 | 0.81 | CHUK (0.57) | ALDH1A1HSD17B10KDM4ECHUKRXFP1 | |
| SCHEMBL29538654 | 0.78 | CHUK (0.52) | ALDH1A1TSHRHSD17B10CHUKRXFP1 | |
| SCHEMBL16433002 | 0.78 | CHUK (0.52) | ALDH1A1TSHRHSD17B10CHUKRXFP1 | |
| SCHEMBL29655447 | 0.78 | CHUK (0.45) | KDM4ECHUKRXFP1CA12CA9 | |
| SCHEMBL28524076 | 0.78 | CHUK (0.45) | KDM4ECHUKRXFP1CA12CA9 | |
| SCHEMBL12666327 | 0.77 | AR (0.46) | ALDH1A1CYP3A4TSHRHSD17B10TDP1 | |
| SCHEMBL607827 | 0.77 | CHUK (0.64) | ALDH1A1TSHRHSD17B10KDM4ECHUK | |
| SCHEMBL29453525 | 0.77 | CHUK (0.64) | ALDH1A1TSHRHSD17B10KDM4ECHUK |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016000827-A1 | AZEPANYL-DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME WITH ANTIPARASITIC ACTIVITY | MERCK PATENT GMBH (DE) | 2016-01-07 | — | — | WO | disclosed |