Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 1/20 | 0.34 |
| ▸ | KLK1 | P06870 | 1/20 | 0.34 |
| ▸ | ACE | P12821 | 9/20 | 0.34 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
| ▸ | MMP8 | P22894 | 1/20 | 0.34 |
| ▸ | MMP13 | P45452 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.33 |
| ▸ | MME | P08473 | 2/20 | 0.32 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27650657 | 0.88 | ACE (0.34) | KLKB1KLK1ACEMMP3MMP8 | |
| SCHEMBL5999898 | 0.84 | S1PR1 (0.40) | ACEMMP3MMP8MMP13AGTR2 | |
| SCHEMBL5999897 | 0.84 | S1PR1 (0.40) | ACEMMP3MMP8MMP13AGTR2 | |
| SCHEMBL6000208 | 0.71 | S1PR1 (0.39) | ACEMMP3MMP8MMP13ABCB11 | |
| SCHEMBL6000212 | 0.71 | S1PR1 (0.39) | ACEMMP3MMP8MMP13ABCB11 | |
| SCHEMBL27650919 | 0.69 | PTPN1 (0.36) | SIGMAR1MMEADRB1ADRB3 | |
| SCHEMBL5999041 | 0.69 | S1PR1 (0.37) | ACEMMP3MMP8MMP13 | |
| SCHEMBL5999037 | 0.69 | S1PR1 (0.37) | ACEMMP3MMP8MMP13 | |
| SCHEMBL27630371 | 0.68 | ADRB1 (0.37) | ADRB1ADRB3 | |
| SCHEMBL6000125 | 0.65 | NR4A2 (0.39) | MMP3MMP8 |
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-1780823-A | Heteroaromatic pentacyclic compound and medicinal use thereof | JAPAN TOBACCO INC (JP) | 2006-05-31 | — | — | CN | claimed |
| CN-1780823-A | Heteroaromatic pentacyclic compound and medicinal use thereof | JAPAN TOBACCO INC (JP) | 2006-05-31 | — | — | CN | disclosed |