Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.59 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | F13A1 | P00488 | 1/20 | 0.56 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.50 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.45 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.45 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.45 |
| ▸ | ESRRB | O95718 | 1/20 | 0.45 |
| ▸ | ESRRG | P62508 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7381628 | 0.83 | TMEM97 (0.67) | SIGMAR1TMEM97KDM4EF13A1ESR1 | |
| SCHEMBL3120845 | 0.79 | TMEM97 (0.63) | SIGMAR1TMEM97KDM4EF13A1ESR1 | |
| SCHEMBL288827 | 0.78 | KDM4E (0.55) | SIGMAR1TMEM97KDM4EF13A1ESR1 | |
| SCHEMBL7386235 | 0.78 | SIGMAR1 (0.61) | SIGMAR1TMEM97KDM4EF13A1ESR1 | |
| SCHEMBL6976863 | 0.77 | KDM4E (0.53) | SIGMAR1TMEM97KDM4EF13A1ESR1 | |
| SCHEMBL29017807 | 0.75 | CA2 (0.60) | SIGMAR1TMEM97KDM4EF13A1ESR1 | |
| SCHEMBL18122725 | 0.75 | OPRK1 (0.64) | SIGMAR1TMEM97OPRK1ADRB2SLC6A2 | |
| SCHEMBL7379754 | 0.74 | ESR1 (0.60) | SIGMAR1TMEM97KDM4EF13A1ESR1 | |
| SCHEMBL274906 | 0.74 | TMEM97 (1.00) | SIGMAR1TMEM97KDM4EF13A1ESR1 | |
| SCHEMBL28689243 | 0.73 | KDM4E (0.61) | SIGMAR1TMEM97KDM4EF13A1ESR1 |
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-106170290-A | Substituted di-amino-pyrimidine based compound, combinations thereof and treatment method thereof | 西格诺药品有限公司 | 2016-11-30 | — | — | CN | disclosed |