Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA3 | P07451 | 1/20 | 0.49 |
| ▸ | CA4 | P22748 | 1/20 | 0.49 |
| ▸ | CA6 | P23280 | 1/20 | 0.49 |
| ▸ | CA5A | P35218 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.49 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.49 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.49 |
| ▸ | CPA1 | P15085 | 1/20 | 0.46 |
| ▸ | CPA2 | P48052 | 1/20 | 0.46 |
| ▸ | CPA4 | Q9UI42 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8271877 | 0.90 | CPA1 (0.51) | CA12CA1CA2CA3CA4 | |
| SCHEMBL8270566 | 0.84 | CTSS (0.42) | CA12CA1CA2CA3CA4 | |
| SCHEMBL2632702 | 0.82 | CPA1 (0.55) | CPA1CPA2CPA4ALDH1A1THRB | |
| SCHEMBL8269345 | 0.81 | PSMB5 (0.45) | CPA1CPA2CPA4 | |
| SCHEMBL8280709 | 0.81 | POLB (0.52) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL8446105 | 0.79 | KMT2A (0.48) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL15413369 | 0.78 | CTSS (0.46) | CA12CA1CA2CA3CA4 | |
| SCHEMBL9441281 | 0.77 | ALDH1A1 (0.53) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL7281178 | 0.77 | ALDH1A1 (0.53) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL7281189 | 0.77 | ALDH1A1 (0.53) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 |
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-2005111008-A2 | COMPOUNDS FOR ENZYME INHIBITION | PROTEOLIX, INC. (US) | 2005-11-24 | — | — | WO | disclosed |