Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.47 |
| ▸ | AGXT | P21549 | 2/20 | 0.47 |
| ▸ | MAOB | P27338 | 8/20 | 0.45 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.40 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP12 | P39900 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Boric Acid SCHEMBL28083881 | 0.83 | IDO1 (0.49) | IDO1MAOBMAOATAAR1MMP2 | |
| Boric Acid SCHEMBL28083882 | 0.82 | ENPP2 (0.50) | IDO1AGXTMAOBHCAR2MAOA | |
| Boric Acid SCHEMBL28083960 | 0.81 | IDO1 (0.41) | IDO1MAOBMAOA | |
| Boric Acid SCHEMBL28832447 | 0.81 | IDO1 (0.51) | IDO1AGXTMAOBTAAR1 | |
| Boric Acid SCHEMBL28103363 | 0.80 | LIPE (0.43) | IDO1AGXTTAAR1CYP1A2CYP2C19 | |
| Boric Acid SCHEMBL28083883 | 0.79 | IDO1 (0.53) | IDO1MAOBTAAR1MMP1MMP12 | |
| SCHEMBL31370399 | 0.79 | IDO1 (0.58) | IDO1AGXTMAOBHCAR2MAOA | |
| SCHEMBL13597426 | 0.79 | IDO1 (0.58) | IDO1AGXTMAOBHCAR2MAOA | |
| SCHEMBL28418474 | 0.78 | IDO1 (0.50) | IDO1AGXTMAOBHCAR2MAOA | |
| SCHEMBL29219340 | 0.75 | TSHR (0.44) | IDO1AGXTTAAR1CYP1A2CYP2C19 |
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-105884808-A | Preparation method of benzyl boron ester compound | 北京大学 | 2016-08-24 | — | — | CN | disclosed |