Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.56 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.56 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.56 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.56 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.56 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.51 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.45 |
| ▸ | PDCD1LG2 | Q9BQ51 | 1/20 | 0.43 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8017797 | 0.98 | CHRNB2 (0.54) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL6064054 | 0.95 | CHRNB2 (0.50) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL3589627 | 0.90 | CHRNB2 (0.53) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL11509424 | 0.87 | CHRNB2 (0.46) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL27512084 | 0.86 | CHRNB2 (0.55) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| Benzene SCHEMBL11161088 | 0.86 | CHRNB2 (0.55) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL18751632 | 0.84 | CHRNB2 (0.56) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL11510004 | 0.83 | PARP14 (0.43) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL11452553 | 0.83 | CHRNB2 (0.56) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL15826851 | 0.82 | CHRNB2 (0.58) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0973737-A4 | EFFICIENT SYNTHESIS OF A CHIRAL MEDIATOR | MERCK & CO INC (US) | 2000-04-26 | — | — | EP | claimed |
| EP-0973737-A1 | EFFICIENT SYNTHESIS OF A CHIRAL MEDIATOR | Merck & Co., Inc. (US) | 2000-01-26 | — | — | EP | claimed |
| WO-1998030540-A1 | EFFICIENT SYNTHESIS OF A CHIRAL MEDIATOR | MERCK & CO., INC. (US) | 1998-07-16 | — | — | WO | claimed |
| EP-2417096-A1 | PROCESS FOR THE SYNTHESIS OF A PROPARGYLIC ALCOHOL | Lonza Ltd. (CH) | 2012-02-15 | — | — | EP | disclosed |
| WO-2010115639-A1 | PROCESS FOR THE SYNTHESIS OF A PROPARGYLIC ALCOHOL | LONZA LTD (CH) | 2010-10-14 | — | — | WO | disclosed |