Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 8/20 | 0.51 |
| ▸ | CA1 | P00915 | 8/20 | 0.51 |
| ▸ | CA2 | P00918 | 8/20 | 0.51 |
| ▸ | CA9 | Q16790 | 6/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL31259697 | 1.00 | CA12 (0.51) | CA12CA1CA2CA9HSD17B10 | |
| SCHEMBL12884478 | 1.00 | CA12 (0.51) | CA12CA1CA2CA9HSD17B10 | |
| SCHEMBL21969575 | 1.00 | CA12 (0.51) | CA12CA1CA2CA9HSD17B10 | |
| SCHEMBL10172185 | 1.00 | CA12 (0.51) | CA12CA1CA2CA9HSD17B10 | |
| SCHEMBL13431329 | 1.00 | CA12 (0.51) | CA12CA1CA2CA9HSD17B10 | |
| SCHEMBL14142697 | 1.00 | CA12 (0.51) | CA12CA1CA2CA9HSD17B10 | |
| SCHEMBL21842371 | 1.00 | CA12 (0.51) | CA12CA1CA2CA9HSD17B10 | |
| SCHEMBL23266163 | 0.95 | CA2 (0.47) | CA12CA1CA2CA9HSD17B10 | |
| SCHEMBL23483194 | 0.95 | CA2 (0.47) | CA12CA1CA2CA9HSD17B10 | |
| SCHEMBL20870238 | 0.95 | CA2 (0.47) | CA12CA1CA2CA9HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023147161-A2 | NICOTINATE AND NICOTINAMIDE RIBOSIDE-BASED COMPOUNDS AND DERIVATIVES THEREOF | New Frontier Bio, Inc. (US) | 2023-08-03 | — | — | WO | disclosed |