Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 3/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | CA7 | P43166 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30829273 | 0.94 | IDO1 (0.57) | IDO1TAAR1CHRM2CHRM1LMNA | |
| SCHEMBL17820 | 0.94 | IDO1 (0.57) | IDO1TAAR1CHRM2CHRM1LMNA | |
| SCHEMBL21395 | 0.83 | IDO1 (0.52) | IDO1TAAR1CHRM2CHRM1LMNA | |
| SCHEMBL7237280 | 0.82 | KDM4E (0.53) | CHRM2CHRM1ALDH1A1CA1CA2 | |
| SCHEMBL28291119 | 0.82 | CA1 (0.52) | IDO1TAAR1CHRM2CHRM1LMNA | |
| Fluoroacetate SCHEMBL28956770 | 0.80 | POLB (0.50) | TAAR1LMNASMN1; SMN2GAAMTNR1A | |
| 1,2-Dimethoxybenzene SCHEMBL1796149 | 0.79 | CA1 (0.77) | LMNASMN1; SMN2ALDH1A1MAPTCA1 | |
| 1,2-Dimethoxybenzene SCHEMBL23113 | 0.79 | CA1 (0.77) | LMNASMN1; SMN2ALDH1A1MAPTCA1 | |
| SCHEMBL3862588 | 0.78 | HTR7 (0.49) | IDO1TAAR1CHRM2CHRM1ALDH1A1 | |
| SCHEMBL5295694 | 0.77 | IDO1 (0.53) | IDO1TAAR1CHRM2CHRM1LMNA |
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-103360399-B | 6-aryl replacement-imidazoles-[1,2-b] pyridazine class derivative, Preparation Method And The Use | PEKING UNIVERSITY (CN) | 2016-03-02 | — | — | CN | disclosed |