Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 8/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NAAA | Q02083 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27705462 | 0.98 | EPHX1 (0.44) | ALDH1A1TSHREPHX1NAAALMNA | |
| SCHEMBL28927455 | 0.98 | EPHX1 (0.44) | ALDH1A1TSHREPHX1NAAALMNA | |
| SCHEMBL11767372 | 0.98 | EPHX1 (0.44) | ALDH1A1TSHREPHX1NAAALMNA | |
| Hydrochloric Acid SCHEMBL5617919 | 0.96 | EPHX1 (0.43) | ALDH1A1TSHREPHX1NAAALMNA | |
| Hydrochloric Acid SCHEMBL9511850 | 0.96 | EPHX1 (0.43) | ALDH1A1TSHREPHX1NAAALMNA | |
| Water SCHEMBL8979254 | 0.96 | EPHX1 (0.43) | ALDH1A1TSHREPHX1NAAALMNA | |
| Hydrochloric Acid SCHEMBL3692664 | 0.96 | EPHX1 (0.43) | ALDH1A1TSHREPHX1NAAALMNA | |
| Bromide SCHEMBL27867563 | 0.96 | EPHX1 (0.43) | ALDH1A1TSHREPHX1NAAALMNA | |
| SCHEMBL2114006 | 0.93 | TSHR (0.36) | ALDH1A1TSHREPHX1SMN1; SMN2LMNA | |
| SCHEMBL12927516 | 0.90 | HTT (0.35) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104024258-B | Pyrrolopyrazine kinase inhibitors | 霍夫曼-拉罗奇有限公司 | 2017-02-15 | — | — | CN | claimed |
| CN-106349156-A | Pyridine-2-amides capable of being used as CB2 agonist | 霍夫曼-拉罗奇有限公司 | 2017-01-25 | — | — | CN | claimed |
| CN-103608332-B | Pyridine-2-amides useful as CB2 agonists | 霍夫曼-拉罗奇有限公司 | 2016-09-28 | — | — | CN | claimed |
| CN-109310673-A | With selective CB2The method of receptor agonist treatment | 艾尼纳制药公司 | 2019-02-05 | — | — | CN | disclosed |