Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.52 |
| ▸ | MIF | P14174 | 3/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | AGXT | P21549 | 2/20 | 0.42 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.39 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6804290 | 0.87 | MIF (0.50) | TAAR1MIFMAOBTRPA1CYP2E1 | |
| SCHEMBL8486630 | 0.81 | TAAR1 (0.46) | TAAR1MIFIDO1AGXTPYCR1 | |
| SCHEMBL14015247 | 0.80 | MIF (0.45) | TAAR1MIFTRPA1CYP2E1CYP2A6 | |
| SCHEMBL29542006 | 0.80 | HTR3E (0.54) | TAAR1MIFIDO1AGXTPYCR1 | |
| SCHEMBL1851734 | 0.80 | HTR3E (0.54) | TAAR1MIFIDO1AGXTPYCR1 | |
| SCHEMBL30829275 | 0.79 | TAAR1 (0.52) | TAAR1MIFIDO1AGXT | |
| SCHEMBL13139339 | 0.79 | TAAR1 (0.52) | TAAR1MIFIDO1AGXT | |
| SCHEMBL9178534 | 0.77 | MIF (0.42) | TAAR1MIFTRPA1CYP2E1CYP2A6 | |
| SCHEMBL28173860 | 0.77 | MIF (0.46) | MIFAGXTGPR84TRPA1CYP2E1 | |
| SCHEMBL1844610 | 0.77 | TAAR1 (0.45) | TAAR1MIFIDO1PYCR1MAOB |
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 |
|---|---|---|---|---|---|---|---|
| CN-109456308-B | Heterocyclic compounds as ASK inhibitors and their use | 南京圣和药业股份有限公司 | 2022-11-29 | — | — | CN | disclosed |
| CN-109456308-A | Heterocyclic compound and its application as ASK inhibitor | 南京圣和药业股份有限公司 | 2019-03-12 | — | — | CN | disclosed |