Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL16632830 | 0.88 | IDO1 (0.44) | IDO1TDO2ALDH1A1OPRL1MAPK1 | |
| SCHEMBL4088437 | 0.85 | TAAR1 (0.33) | IDO1 | |
| SCHEMBL4087851 | 0.85 | IDO1 (0.45) | IDO1TDO2HTTALDH1A1OPRL1 | |
| SCHEMBL192991 | 0.72 | — | — | |
| SCHEMBL29418105 | 0.72 | — | — | |
| SCHEMBL14603365 | 0.71 | IDO1 (0.53) | IDO1TDO2ALDH1A1OPRL1MAPK1 | |
| SCHEMBL16632702 | 0.71 | SLC6A2 (0.41) | IDO1TDO2ALDH1A1 | |
| SCHEMBL16632474 | 0.71 | SLC6A2 (0.41) | IDO1TDO2ALDH1A1 | |
| SCHEMBL3871873 | 0.70 | ALDH1A1 (0.36) | IDO1ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL21359409 | 0.69 | — | — |
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 5 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-9815694-B2 | Catalytic ammonia synthesis by transition metal molecular complexes | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2017-11-14 | — | — | US | disclosed |
| 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 |
| US-20150104371-A1 | CATALYTIC AMMONIA SYNTHESIS BY TRANSITION METAL MOLECULAR COMPLEXES | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2015-04-16 | — | — | US | disclosed |