Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.45 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.45 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.45 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.40 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9559796 | 0.84 | ALDH1A1 (0.55) | CYP4F2CYP4A11CA2CHRM2CYP2D6 | |
| SCHEMBL16868406 | 0.84 | ALDH1A1 (0.55) | CYP4F2CYP4A11CA2CHRM2CYP2D6 | |
| SCHEMBL12158530 | 0.83 | SLC6A2 (0.49) | SLC6A2SLC6A3PRSS1PRSS2PRSS3 | |
| SCHEMBL1707132 | 0.82 | CYP2D6 (0.36) | SLC6A2CYP4F2CYP4A11KMT2ACHRM2 | |
| SCHEMBL28312772 | 0.82 | CA1 (0.52) | CYP4F2CYP4A11CA1CA2KMT2A | |
| SCHEMBL3007585 | 0.82 | CES2 (0.48) | SLC6A2CYP4F2CYP4A11KMT2ACHRM2 | |
| SCHEMBL6666337 | 0.82 | SLC6A2 (0.47) | SLC6A2SLC6A3PRSS1PRSS2PRSS3 | |
| Hydrochloric Acid SCHEMBL22614733 | 0.81 | CES2 (0.47) | CYP4F2CYP4A11KMT2ACHRM2CYP2D6 | |
| Hydrochloric Acid SCHEMBL22614731 | 0.81 | CYP2D6 (0.36) | CYP4F2CYP4A11KMT2ACHRM2CYP2D6 | |
| SCHEMBL12970402 | 0.80 | SLC6A2 (0.46) | SLC6A2SLC6A3PRSS1PRSS2PRSS3 |
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 |
|---|---|---|---|---|---|---|---|
| US-11761954-B2 | NBOMe test | UNIVERSITY OF TECHNOLOGY SYDNEY | 2023-09-19 | — | — | US | disclosed |
| EP-3841085-A1 | NBOME TEST | University Of Technology Sydney (AU) | 2021-06-30 | — | — | EP | disclosed |
| US-20210190766-A1 | NBOMe Test | UNIVERSITY OF TECHNOLOGY SYDNEY (AU) | 2021-06-24 | — | — | US | disclosed |
| WO-2020037372-A1 | NBOME TEST | UNIVERSITY OF TECHNOLOGY SYDNEY (AU) | 2020-02-27 | — | — | WO | disclosed |