Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | HTR2B | P41595 | 2/20 | 0.40 |
| ▸ | KDM1A | O60341 | 8/20 | 0.38 |
| ▸ | KDM1B | Q8NB78 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 3/20 | 0.33 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10033085 | 0.84 | HTR2A (0.40) | HTR2AHTR2CHTR2BKDM1AALDH1A1 | |
| SCHEMBL10033086 | 0.83 | KDM1A (0.40) | HTR2CHTR2BKDM1AKDM1BALDH1A1 | |
| SCHEMBL10033111 | 0.80 | HTR2C (0.35) | HTR2AHTR2CHTR2BGAAALDH1A1 | |
| SCHEMBL17806039 | 0.70 | HTR2A (0.53) | HTR2AHTR2CHTR2BKDM1AKDM1B | |
| SCHEMBL15597453 | 0.70 | KDM1A (0.71) | HTR2AHTR2CHTR2BKDM1AKDM1B | |
| SCHEMBL15541134 | 0.70 | ALDH1A1 (0.48) | HTR2AHTR2CHTR2BGAAALDH1A1 | |
| Hydrochloric Acid SCHEMBL16371833 | 0.69 | HTR2A (0.56) | HTR2AHTR2CHTR2BKDM1AKDM1B | |
| SCHEMBL10032839 | 0.67 | KDM1A (0.40) | KDM1AKDM1BDPP4 | |
| SCHEMBL10032974 | 0.66 | SIGMAR1 (0.44) | HTR2CKDM1A | |
| SCHEMBL10033088 | 0.66 | KDM1A (0.34) | KDM1A |
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 |