Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 10/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | TACR2 | P21452 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SHBG | P04278 | 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 | |
|---|---|---|---|---|
| SCHEMBL7952963 | 0.81 | MAOB (0.43) | IDO1CA1CA2ALDH1A1TP53 | |
| SCHEMBL16587900 | 0.81 | IDO1 (0.43) | IDO1CA12CA1CA2CA7 | |
| SCHEMBL27519608 | 0.80 | ALDH1A1 (0.50) | ALDH1A1KDM4ETP53HIF1AKMT2A | |
| SCHEMBL9514790 | 0.80 | ENPP2 (0.42) | CYP3A4CHRM2CHRM1CHRM3CALM1 | |
| SCHEMBL6569008 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL27539850 | 0.77 | IDO1 (0.47) | IDO1CA12CA1CA2CA7 | |
| SCHEMBL10070249 | 0.74 | ESR1 (0.44) | IDO1CA2ESR1ESR2ADRA2A | |
| SCHEMBL25620242 | 0.73 | ESR1 (0.48) | IDO1CA12CA1CA2CA9 | |
| SCHEMBL3363731 | 0.73 | ALDH1A1 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3363730 | 0.73 | ALDH1A1 (0.53) | CA12CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104884442-B | Terazololine-one compound and application thereof | 住友化学株式会社 | 2016-11-02 | — | — | CN | disclosed |