Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6703730 | 0.82 | CA1 (0.45) | CA1CA2CA7CA9CA12 | |
| SCHEMBL2812149 | 0.78 | CA12 (0.32) | CA1CA2CA7CA9CA12 | |
| SCHEMBL18925853 | 0.75 | ALDH1A1 (0.39) | CA1CA2CA7CA9CA12 | |
| SCHEMBL10913475 | 0.73 | TSHR (0.50) | CA1CA2CA7CA9CA12 | |
| SCHEMBL27932248 | 0.73 | CA1 (0.65) | CA1CA2CA7CA9CA12 | |
| SCHEMBL31036946 | 0.73 | TSHR (0.50) | CA1CA2CA7CA9CA12 | |
| SCHEMBL9697299 | 0.73 | P2RX3 (0.44) | CA1CA2L3MBTL1ALDH1A1TSHR | |
| SCHEMBL54887 | 0.72 | — | — | |
| SCHEMBL9196056 | 0.71 | ALDH1A1 (0.56) | CA1CA2CA7CA9CA12 | |
| SCHEMBL7743177 | 0.71 | CA1 (0.36) | CA1CA2CA7CA9CA12 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2268655-A2 | BIRCH REDUCTION OF STEROID SUBSTRATES VIA ALKALI METAL-SILICA GEL MATERIALS | SIGNA CHEMISTRY LLC (US) | 2011-01-05 | — | — | EP | disclosed |
| WO-2009120678-A2 | BIRCH REDUCTION OF STEROID SUBSTRATES VIA ALKALI METAL-SILICA GEL MATERIALS | SIGNA CHEMISTRY, LLC (US) | 2009-10-01 | — | — | WO | disclosed |