Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.55 |
| ▸ | CES1 | P23141 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.51 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | CDC25B | P30305 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | GMNN | O75496 | 1/20 | 0.44 |
| ▸ | TTR | P02766 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL17009646 | 0.93 | CES2 (0.61) | CES2CES1MAPK1TSHRVCAM1 | |
| SCHEMBL27908112 | 0.87 | CES2 (0.61) | CES2CES1MAPK1TSHRVCAM1 | |
| Acetonitrile SCHEMBL28866171 | 0.85 | TSHR (0.61) | CES2CES1MAPK1TSHRVCAM1 | |
| SCHEMBL27926228 | 0.83 | ALDH1A1 (0.61) | CES2CES1MAPK1TSHRVCAM1 | |
| SCHEMBL28190153 | 0.82 | VCAM1 (0.58) | CES2CES1MAPK1TSHRVCAM1 | |
| SCHEMBL28081290 | 0.82 | VCAM1 (0.67) | CES2CES1MAPK1TSHRVCAM1 | |
| Acetonitrile SCHEMBL27599323 | 0.81 | ALDH1A1 (0.50) | MAPK1TSHRVCAM1ALDH1A1MAPT | |
| SCHEMBL28230654 | 0.81 | CES2 (0.54) | CES2CES1MAPK1TSHRVCAM1 | |
| SCHEMBL28230663 | 0.81 | CES2 (0.54) | CES2CES1MAPK1TSHRVCAM1 | |
| Ammonia Solution, Strong SCHEMBL27873079 | 0.81 | VCAM1 (0.65) | CES2CES1MAPK1TSHRVCAM1 |
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-103797000-B | Amidine compound or salt thereof | 大正制药株式会社 | 2016-07-06 | — | — | CN | disclosed |