Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | DRD4 | P21917 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CCR1 | P32246 | 2/20 | 0.42 |
| ▸ | CCR5 | P51681 | 2/20 | 0.42 |
| ▸ | CCR8 | P51685 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | METAP1 | P53582 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.42 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8488039 | 0.80 | SIGMAR1 (0.53) | SIGMAR1DRD4KDM4ELMNAPOLB | |
| SCHEMBL25124555 | 0.76 | SIGMAR1 (0.60) | SIGMAR1DRD4SMN1; SMN2KDM4ELMNA | |
| SCHEMBL31754615 | 0.76 | DRD4 (0.48) | SIGMAR1DRD4SMN1; SMN2KDM4ELMNA | |
| SCHEMBL7476654 | 0.76 | SIGMAR1 (0.44) | SIGMAR1DRD4SMN1; SMN2TP53NPC1 | |
| SCHEMBL30097493 | 0.75 | ALDH1A1 (0.59) | SIGMAR1DRD4SMN1; SMN2NPC1TSHR | |
| SCHEMBL12100560 | 0.75 | ALDH1A1 (0.59) | SIGMAR1DRD4SMN1; SMN2NPC1TSHR | |
| SCHEMBL9080596 | 0.74 | ALDH1A1 (0.50) | SIGMAR1DRD4SMN1; SMN2NPC1TSHR | |
| SCHEMBL18382209 | 0.74 | DRD4 (0.46) | SIGMAR1DRD4SMN1; SMN2TP53NPC1 | |
| SCHEMBL14890550 | 0.74 | TDO2 (0.51) | SIGMAR1DRD4ALDH1A1 | |
| SCHEMBL6969008 | 0.74 | DRD4 (0.61) | SIGMAR1DRD4SMN1; SMN2HIF1AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3006438-A1 | CYCLIC AMINOMETHYL PYRIMIDINE DERIVATIVE | Sumitomo Dainippon Pharma Co., Ltd. (JP) | 2016-04-13 | — | — | EP | disclosed |