Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | TRPM8 | Q7Z2W7 | 7/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | AGXT | P21549 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.36 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.36 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27486124 | 0.96 | IDO1 (0.42) | TSHRTRPM8IDO1AGXTMAOA | |
| Cyclopentanamine SCHEMBL27654473 | 0.95 | TRPM8 (0.40) | TSHRTRPM8IDO1AGXTMAOA | |
| Cyclohexylamine SCHEMBL27570221 | 0.93 | TRPM8 (0.39) | TSHRTRPM8IDO1ALDH1A1 | |
| SCHEMBL28238992 | 0.88 | TSHR (0.48) | TSHRMAOAMAOBALDH1A1GLA | |
| SCHEMBL27536800 | 0.87 | HTR1A (0.44) | TSHRMAOAMAOBKDM1A | |
| Cyclobutanol SCHEMBL29159670 | 0.86 | TSHR (0.47) | TSHRMAOAMAOBALDH1A1GLA | |
| Hydrochloric Acid SCHEMBL27514425 | 0.86 | HTR1A (0.43) | TSHRAGXTMAOAMAOBKDM1A | |
| SCHEMBL27873296 | 0.85 | TSHR (0.46) | TSHRIDO1AGXTMAOAMAOB | |
| SCHEMBL27772138 | 0.84 | TSHR (0.43) | TSHRIDO1MAOAMAOBALDH1A1 | |
| Hydrazine SCHEMBL27604749 | 0.83 | IDO1 (0.50) | TSHRIDO1AGXTMAOAMAOB |
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-103313968-A | Nampt and rock inhibitors | ABBVIE LAB | 2013-09-18 | — | — | CN | disclosed |