Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 12/20 | 0.64 |
| ▸ | CA1 | P00915 | 11/20 | 0.64 |
| ▸ | CA7 | P43166 | 2/20 | 0.64 |
| ▸ | CA5A | P35218 | 1/20 | 0.64 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 5/20 | 0.51 |
| ▸ | CA12 | O43570 | 5/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2830813 | 1.00 | CA2 (0.64) | CA2CA1CA7CA5ACA5B | |
| SCHEMBL2472288 | 0.93 | CA1 (0.58) | CA2CA1CA7CA5ACA5B | |
| SCHEMBL2472300 | 0.88 | CA1 (0.52) | CA2CA1CA7CA5ACA5B | |
| SCHEMBL15335384 | 0.85 | CA1 (0.60) | CA2CA1CA7CA5ACA5B | |
| SCHEMBL2837351 | 0.84 | CA1 (0.54) | CA2CA1CA7CA5ACA5B | |
| SCHEMBL16069981 | 0.83 | CA2 (0.53) | CA2CA1CA7CA5ACA5B | |
| SCHEMBL2474574 | 0.83 | CA1 (0.69) | CA2CA1CA7CA5ACA5B | |
| SCHEMBL2839421 | 0.83 | CA1 (0.69) | CA2CA1CA7CA5ACA5B | |
| SCHEMBL2835636 | 0.83 | CA1 (0.59) | CA2CA1CA7CA5ACA5B | |
| SCHEMBL2839226 | 0.83 | CA1 (0.59) | CA2CA1CA7CA5ACA5B |
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 |
|---|---|---|---|---|---|---|---|
| US-9433594-B2 | Technetium- and rhenium-bis(heteroaryl) complexes and methods of use thereof | MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) | 2016-09-06 | — | — | US | disclosed |