Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | GPR3 | P46089 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3256101 | 0.85 | ELANE (0.42) | CYP1A2ADORA2AALDH1A1HPGDNUDT1 | |
| SCHEMBL24164244 | 0.81 | GPR3 (0.61) | CYP1A2ADORA2AALDH1A1HPGDNUDT1 | |
| SCHEMBL12733667 | 0.78 | SMN1; SMN2 (0.50) | CYP1A2ADORA2AALDH1A1HPGDNUDT1 | |
| SCHEMBL841604 | 0.78 | POLB (0.46) | CYP1A2ADORA2AALDH1A1GPR3CYP2A6 | |
| SCHEMBL1386112 | 0.73 | GPR3 (0.54) | CYP1A2ADORA2AALDH1A1HPGDNUDT1 | |
| SCHEMBL2639769 | 0.72 | LMNA (0.52) | CYP1A2ADORA2AALDH1A1HPGDNUDT1 | |
| SCHEMBL23028710 | 0.70 | KDM4E (0.57) | CYP1A2ALDH1A1GPR3CYP2A6MEN1 | |
| SCHEMBL28054584 | 0.70 | MAOA (0.61) | CYP1A2ADORA2AALDH1A1HPGDHSD17B10 | |
| SCHEMBL11052646 | 0.70 | ALDH1A1 (0.61) | CYP1A2ADORA2AALDH1A1HPGDNUDT1 | |
| SCHEMBL29156714 | 0.70 | ALDH1A1 (0.41) | CYP1A2ALDH1A1GPR3BACE1POLB |
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-105218581-A | A kind of synthetic method of 3-difluoro methylphosphonic acid diethyl-ester group oxoindole derivative | UNIV LUOYANG NORMAL | 2016-01-06 | — | — | CN | disclosed |