Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 2/20 | 0.64 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.61 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.60 |
| ▸ | TTR | P02766 | 4/20 | 0.54 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.50 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.50 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.50 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.50 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.50 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.50 |
| ▸ | PGR | P06401 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7497537 | 0.97 | VCAM1 (0.68) | VCAM1ITGB1ITGA5MAPK1TTR | |
| Ammonia Solution, Strong SCHEMBL27483503 | 0.95 | VCAM1 (0.66) | VCAM1ITGB1ITGA5MAPK1TTR | |
| Carbamic Acid SCHEMBL28101135 | 0.93 | MAPK1 (0.62) | VCAM1ITGB1ITGA5MAPK1TTR | |
| Nitrous Acid SCHEMBL27695747 | 0.91 | VCAM1 (0.61) | VCAM1ITGB1ITGA5MAPK1TTR | |
| SCHEMBL27680052 | 0.91 | VCAM1 (0.61) | VCAM1ITGB1ITGA5MAPK1TTR | |
| SCHEMBL8626465 | 0.91 | TTR (0.62) | VCAM1ITGB1ITGA5MAPK1TTR | |
| SCHEMBL27584359 | 0.90 | VCAM1 (0.59) | VCAM1ITGB1ITGA5MAPK1TTR | |
| SCHEMBL8627482 | 0.89 | ITGB1 (0.58) | VCAM1ITGB1ITGA5MAPK1TTR | |
| SCHEMBL4605109 | 0.89 | VCAM1 (0.62) | VCAM1ITGB1ITGA5MAPK1TTR | |
| Methyl Alcohol SCHEMBL28201408 | 0.88 | MAPK1 (0.64) | VCAM1ITGB1ITGA5MAPK1TTR |
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 |
|---|---|---|---|---|---|---|---|
| CN-106257976-A | Human plasma kallikrein inhibitors | 拜奥克里斯特制药公司 | 2016-12-28 | — | — | CN | disclosed |