Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 17/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24915444 | 0.84 | ACE (0.35) | ACEALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL24899392 | 0.80 | ACE (0.33) | ACEALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL24915335 | 0.73 | TLR2 (0.36) | ACE | |
| SCHEMBL27263098 | 0.72 | ACE (0.35) | ACEALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL18357270 | 0.71 | ALDH1A1 (0.42) | ACEALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL24916224 | 0.69 | NOD1 (0.34) | ACE | |
| SCHEMBL18373248 | 0.68 | ALDH1A1 (0.42) | ACEALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL24915512 | 0.66 | ACE (0.34) | ACE | |
| SCHEMBL18357271 | 0.65 | ALDH1A1 (0.40) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL16156107 | 0.65 | ALDH1A1 (0.49) | ACEALDH1A1THRBCYP2C9CYP2C19 |
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-2023288213-A1 | MACROCYCLIC IMMUNOMODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2023-01-19 | — | — | WO | disclosed |