Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 3/20 | 0.35 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10033128 | 0.86 | ALOX5AP (0.36) | BRD4ALDH1A1MAPK1NPSR1TSHR | |
| SCHEMBL10033098 | 0.85 | ALOX5AP (0.39) | ALDH1A1MAPK1NPSR1TSHRHSD17B10 | |
| SCHEMBL10033100 | 0.85 | CYP11B1 (0.35) | ALDH1A1CYP1A2MAPK1NPSR1TSHR | |
| SCHEMBL10033104 | 0.81 | MEN1 (0.38) | ALDH1A1CYP1A2MAPK1NPSR1HSD17B10 | |
| SCHEMBL10033129 | 0.80 | PPOX (0.36) | ALDH1A1TSHRKMT2AKDM4EPOLB | |
| SCHEMBL10033106 | 0.80 | HTR2A (0.38) | ALDH1A1MAPK1TSHRHSD17B10KMT2A | |
| SCHEMBL10033113 | 0.80 | L3MBTL1 (0.42) | ALDH1A1TSHRSMN1; SMN2KDM1AALOX5AP | |
| SCHEMBL10033182 | 0.78 | BRD4 (0.38) | BRD4ALDH1A1CYP1A2TSHRKDM4E | |
| SCHEMBL10033095 | 0.78 | L3MBTL1 (0.41) | ALDH1A1NPSR1KMT2ASMN1; SMN2ALOX5AP | |
| SCHEMBL10033130 | 0.76 | TACR1 (0.41) | ALDH1A1MAPK1NPSR1KDM4EPOLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012046771-A1 | CYCLOALKANE COMPOUND | アステラス製薬株式会社 (JP) | 2012-04-12 | — | — | WO | disclosed |