Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16640269 | 0.89 | GABRA1 (0.30) | GABRA1GABRB2 | |
| SCHEMBL16640275 | 0.89 | ESR1 (0.42) | GABRA1GABRB2TSHRSLC6A2SLC6A4 | |
| SCHEMBL16640280 | 0.89 | ESR1 (0.42) | GABRA1GABRB2TSHRSLC6A2SLC6A4 | |
| SCHEMBL16640279 | 0.87 | SLC6A2 (0.35) | SLC6A2LMNAHIF1ATAAR1SLC6A4 | |
| SCHEMBL18605828 | 0.84 | GABRA1 (0.32) | GABRA1GABRB2 | |
| SCHEMBL18280246 | 0.84 | GABRA1 (0.32) | GABRA1GABRB2 | |
| SCHEMBL2847943 | 0.84 | SLC6A2 (0.35) | GABRA1GABRB2SLC6A2LMNACYP1A2 | |
| SCHEMBL30096500 | 0.84 | TAAR1 (0.35) | GABRA1GABRB2TSHRSLC6A2TAAR1 | |
| SCHEMBL4453279 | 0.84 | TAAR1 (0.35) | GABRA1GABRB2TSHRSLC6A2TAAR1 | |
| SCHEMBL2854573 | 0.79 | TAAR1 (0.41) | SLC6A2HTR2CHTR2BTAAR1MAOA |
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 |