Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | ACP3 | P15309 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16640280 | 1.00 | ESR1 (0.42) | ESR1SLC6A2SLC6A4SLC6A3TSHR | |
| SCHEMBL16632444 | 0.89 | GABRA1 (0.36) | ESR1SLC6A2SLC6A4SLC6A3TSHR | |
| SCHEMBL7561832 | 0.81 | TSHR (0.43) | ESR1SLC6A2SLC6A4SLC6A3TSHR | |
| SCHEMBL628860 | 0.80 | ESR1 (0.59) | ESR1SLC6A2SLC6A4SLC6A3TSHR | |
| SCHEMBL16640269 | 0.80 | GABRA1 (0.30) | GABRA1GABRB2 | |
| SCHEMBL16640279 | 0.78 | SLC6A2 (0.35) | SLC6A2SLC6A4SLC6A3ADRA2AADRA2C | |
| SCHEMBL18280246 | 0.75 | GABRA1 (0.32) | GABRA1GABRB2 | |
| SCHEMBL2847943 | 0.75 | SLC6A2 (0.35) | SLC6A2SLC6A4SLC6A3ADRA2AADRA2C | |
| SCHEMBL18605828 | 0.75 | GABRA1 (0.32) | GABRA1GABRB2 | |
| SCHEMBL30096500 | 0.75 | TAAR1 (0.35) | SLC6A2SLC6A4SLC6A3TSHRACHE |
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 |
|---|---|---|---|---|---|---|---|
| US-9815694-B2 | Catalytic ammonia synthesis by transition metal molecular complexes | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2017-11-14 | — | — | US | disclosed |
| US-20150104371-A1 | CATALYTIC AMMONIA SYNTHESIS BY TRANSITION METAL MOLECULAR COMPLEXES | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2015-04-16 | — | — | US | disclosed |