Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | CYSLTR1 | Q9Y271 | 2/20 | 0.48 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29858122 | 0.83 | HTT (0.55) | HDAC1HDAC2ALDH1A1HPGDMEN1 | |
| SCHEMBL19385987 | 0.83 | HTT (0.55) | HDAC1HDAC2ALDH1A1HPGDMEN1 | |
| SCHEMBL29923875 | 0.78 | KMT2A (0.55) | MAPTRAB9ANPC1ALDH1A1HPGD | |
| SCHEMBL2842316 | 0.78 | HDAC1 (0.49) | MAPTRAB9ANPC1HDAC1HDAC2 | |
| SCHEMBL2837975 | 0.77 | HDAC1 (0.48) | HDAC1HDAC2CYSLTR1GPBAR1KDM4C | |
| SCHEMBL14352218 | 0.76 | PDE10A (0.46) | MAPTHDAC1HDAC2GAACYSLTR1 | |
| SCHEMBL2842747 | 0.75 | HDAC1 (0.50) | HDAC1HDAC2CYSLTR1GPBAR1KDM4C | |
| SCHEMBL27634215 | 0.75 | CYSLTR1 (0.56) | MAPTRAB9ANPC1HDAC1HDAC2 | |
| SCHEMBL31036183 | 0.75 | HDAC1 (0.56) | HDAC1HDAC2HPGDTSHR | |
| SCHEMBL29858443 | 0.75 | MTNR1A (0.50) | HDAC1HDAC2ALDH1A1HPGD |
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-2017165304-A2 | Pd(II)-CATALYZED ENANTIOSELECTIVE BETA-METHYLENE C(sp3)-H BOND ACTIVATION | THE SCRIPPS RESEARCH INSTITUTE (US) | 2017-09-28 | — | — | WO | disclosed |