Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.62 |
| ▸ | CA1 | P00915 | 2/20 | 0.62 |
| ▸ | CA2 | P00918 | 2/20 | 0.62 |
| ▸ | CA4 | P22748 | 2/20 | 0.62 |
| ▸ | CA6 | P23280 | 2/20 | 0.62 |
| ▸ | CA7 | P43166 | 2/20 | 0.62 |
| ▸ | CA9 | Q16790 | 2/20 | 0.62 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.62 |
| ▸ | TPMT | P51580 | 1/20 | 0.62 |
| ▸ | HTT | P42858 | 2/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | TTR | P02766 | 2/20 | 0.51 |
| ▸ | PKM | P14618 | 2/20 | 0.50 |
| ▸ | CA3 | P07451 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.50 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL2784039 | 1.00 | CA12 (0.62) | CA12CA1CA2CA4CA6 | |
| SCHEMBL25219692 | 0.87 | CA12 (0.59) | CA12CA1CA2CA4CA6 | |
| SCHEMBL8900281 | 0.86 | CA12 (0.62) | CA12CA1CA2CA4CA6 | |
| SCHEMBL6859656 | 0.86 | CA12 (0.67) | CA12CA1CA2CA4CA6 | |
| SCHEMBL2592749 | 0.86 | CA12 (0.67) | CA12CA1CA2CA4CA6 | |
| SCHEMBL184552 | 0.85 | MAPT (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2424457 | 0.84 | CA12 (0.65) | CA12CA1CA2CA4CA6 | |
| SCHEMBL16545008 | 0.83 | MEN1 (0.56) | CA12CA1CA2CA4CA6 | |
| SCHEMBL9516446 | 0.83 | CA12 (0.62) | CA12CA1CA2CA4CA6 | |
| SCHEMBL9428447 | 0.83 | CA12 (0.62) | CA12CA1CA2CA4CA6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117843548-A | Benzyl indole HDAC inhibitor and pharmaceutical application thereof | 南京医科大学 | 2024-04-09 | — | — | CN | disclosed |
| WO-2023179567-A1 | PYRIMIDO-PYRIDAZINONE COMPOUND AS TOLL-LIKE RECEPTOR AGONIST | 上海维申医药有限公司 | 2023-09-28 | — | — | WO | disclosed |
| CN-115210235-A | 1H-pyrazolo [4,3-d ] pyrimidine compounds as Toll-like receptor 7 (TLR 7) agonists | 百时美施贵宝公司 | 2022-10-18 | — | — | CN | disclosed |