Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL64882 | 0.82 | CA1 (0.42) | CA1CA2CA7CA9CA12 | |
| SCHEMBL4586248 | 0.80 | TAAR1 (0.41) | CA1CA2CA7CA9CA12 | |
| SCHEMBL6203845 | 0.80 | CA1 (0.41) | CA1CA2CA7CA9CA12 | |
| SCHEMBL1526352 | 0.80 | CA1 (0.41) | CA1CA2CA7CA9CA12 | |
| SCHEMBL7838938 | 0.78 | CA1 (0.39) | CA1CA2CA7CA9CA12 | |
| SCHEMBL18706055 | 0.77 | HTR7 (0.42) | CA1CA2CA7CA9CA12 | |
| SCHEMBL12816605 | 0.77 | CA1 (0.38) | CA1CA2CA7CA9CA12 | |
| SCHEMBL8480841 | 0.77 | ENPP2 (0.38) | CA1CA2CA7CA9CA12 | |
| SCHEMBL6544059 | 0.77 | SLC6A4 (0.44) | CA1CA2CA7CA9CA12 | |
| SCHEMBL4917488 | 0.76 | IDO1 (0.46) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110177780-A | Pyrimidine compound containing acidic groups | 阿普罗斯治疗公司 | 2019-08-27 | — | — | CN | disclosed |
| CN-106232603-B | Compound and composition as 7 agonist of TOLL- sample receptor | 诺华股份有限公司 | 2019-07-05 | — | — | CN | disclosed |
| CN-105658630-A | Tetrazolinone compound and use thereof | 住友化学株式会社 | 2016-06-08 | — | — | CN | disclosed |