Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 4/20 | 0.58 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CD38 | P28907 | 1/20 | 0.42 |
| ▸ | ACKR3 | P25106 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.40 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CTSD | P07339 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.40 |
| ▸ | PRKCI | P41743 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1447540 | 1.00 | P2RX7 (0.58) | P2RX7HDAC6ALDH1A1KDM4ECD38 | |
| SCHEMBL7988780 | 0.83 | HDAC6 (0.58) | P2RX7HDAC6ALDH1A1KDM4ECD38 | |
| SCHEMBL4372942 | 0.83 | HDAC6 (0.51) | P2RX7HDAC6ALDH1A1KDM4ECD38 | |
| SCHEMBL2148942 | 0.81 | HDAC6 (0.48) | P2RX7HDAC6ALDH1A1KDM4ECD38 | |
| SCHEMBL30477668 | 0.81 | HDAC6 (0.48) | P2RX7HDAC6ALDH1A1KDM4ECD38 | |
| SCHEMBL628397 | 0.81 | PARP1 (0.51) | HDAC6ALDH1A1KDM4ECD38HTT | |
| SCHEMBL29687007 | 0.81 | PARP1 (0.51) | HDAC6ALDH1A1KDM4ECD38HTT | |
| SCHEMBL27764496 | 0.80 | HDAC6 (0.50) | HDAC6ALDH1A1KDM4ECD38HTT | |
| SCHEMBL4394779 | 0.80 | HDAC6 (0.51) | HDAC6ALDH1A1HCRTR1HCRTR2 | |
| Hydrochloric Acid SCHEMBL6828318 | 0.79 | PARP1 (0.50) | HDAC6ALDH1A1KDM4ECD38HTT |
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 |
|---|---|---|---|---|---|---|---|
| CN-114466850-A | [1,2,4] triazolo [1,5-C ] quinazolin-5-amines | 拜耳股份有限公司 | 2022-05-10 | — | — | CN | disclosed |