Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2B | P41595 | 2/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.38 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CHRNA1 | P02708 | 2/20 | 0.35 |
| ▸ | CHRNG | P07510 | 2/20 | 0.35 |
| ▸ | CHRNB1 | P11230 | 2/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20412704 | 0.78 | NPSR1 (0.32) | HTR2BSIGMAR1HTR1ACYP3A4MAPT | |
| SCHEMBL17591368 | 0.76 | DRD2 (0.39) | HTR2BSIGMAR1HTR1ACA2ALDH1A1 | |
| SCHEMBL6027643 | 0.76 | OPRM1 (0.36) | TMEM97ALDH1A1CYP3A4THRB | |
| SCHEMBL31371738 | 0.75 | HTR2B (0.44) | HTR2BSIGMAR1HTR7TMEM97HTR1A | |
| SCHEMBL7293897 | 0.75 | HTR2B (0.44) | HTR2BSIGMAR1HTR7TMEM97HTR1A | |
| SCHEMBL11455838 | 0.75 | HTR2B (0.48) | HTR2BSIGMAR1HTR7TMEM97HTR1A | |
| SCHEMBL12491421 | 0.75 | DRD2 (0.41) | ALDH1A1MAPTKDM1ASLC6A2SLC6A3 | |
| SCHEMBL29462816 | 0.75 | RXRA (0.53) | EHMT2CA12CA1CA2CA7 | |
| SCHEMBL10533866 | 0.75 | CA1 (0.42) | EHMT2CA12CA1CA2CA7 | |
| SCHEMBL4420031 | 0.75 | RXRA (0.53) | EHMT2CA12CA1CA2CA7 |
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-1998007716-A2 | HETEROAROTINOIDS-ANTICANCER AGENTS WITH RECEPTOR SPECIFICITY AND TGASE ACTIVITY | THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) | 1998-02-26 | — | — | WO | disclosed |