Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.49 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.45 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.45 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.45 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | AGXT | P21549 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | IDH1 | O75874 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7033869 | 0.85 | CYP2A6 (0.54) | CYP2A6ADRB2ASIC3LOXL2BCL2L1 | |
| SCHEMBL28040538 | 0.82 | CYP2A6 (0.42) | CYP2A6ADRB2ASIC3LOXL2BCL2L1 | |
| SCHEMBL7029438 | 0.81 | MMP8 (0.47) | CYP2A6ADRB2ASIC3LOXL2BCL2L1 | |
| SCHEMBL7028172 | 0.80 | CYP2A6 (0.49) | CYP2A6ADRB2ASIC3LOXL2BCL2L1 | |
| SCHEMBL7033132 | 0.80 | CYP2A6 (0.45) | CYP2A6ADRB2ASIC3LOXL2BCL2L1 | |
| SCHEMBL7023102 | 0.79 | CYP2A6 (0.47) | CYP2A6ADRB2ASIC3LOXL2BCL2L1 | |
| SCHEMBL7033350 | 0.79 | CYP2A6 (0.47) | CYP2A6ADRB2ASIC3LOXL2BCL2L1 | |
| SCHEMBL7033990 | 0.79 | CYP2A6 (0.44) | CYP2A6ADRB2ASIC3LOXL2BCL2L1 | |
| SCHEMBL7029717 | 0.79 | CYP2A6 (0.44) | CYP2A6ADRB2ASIC3LOXL2BCL2L1 | |
| SCHEMBL11893293 | 0.79 | CYP2A6 (0.53) | CYP2A6ADRB2ASIC3LOXL2AGXT |
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-105175392-B | A kind of carboxylic acid compound containing thiophene-structure and amide compound containing thiophene-structure and preparation method thereof | 湖南大学 | 2019-04-19 | — | — | CN | disclosed |
| CN-105175392-A | Carboxylic acid compounds containing thiophene structures and amide compounds containing thiophene structures and preparation method for carboxylic acid compounds and amide compounds | UNIV HUNAN | 2015-12-23 | — | — | CN | disclosed |