Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.35 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.35 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL7447039 | 0.91 | KMT2A (0.36) | KMT2AL3MBTL1ESR1ESR2GAA | |
| Hydrochloric Acid SCHEMBL7493249 | 0.90 | KMT2A (0.35) | KMT2AL3MBTL1ESR1ESR2GAA | |
| SCHEMBL7310836 | 0.78 | ACHE (0.43) | L3MBTL1NPC1RAB9AGAAALDH1A1 | |
| Hydrochloric Acid SCHEMBL7310685 | 0.77 | ACHE (0.42) | L3MBTL1NPC1RAB9AGAAALDH1A1 | |
| Hydrochloric Acid SCHEMBL9802239 | 0.74 | MAPT (0.38) | KMT2AL3MBTL1NPC1ABCB1RAB9A | |
| SCHEMBL8829296 | 0.74 | F2 (0.35) | — | |
| SCHEMBL9802336 | 0.72 | KDM4E (0.43) | KMT2AESR1RAB9AGAAALDH1A1 | |
| Hydrochloric Acid SCHEMBL9802508 | 0.71 | ACHE (0.40) | — | |
| SCHEMBL7444847 | 0.67 | CARM1 (0.36) | GAA | |
| SCHEMBL7444849 | 0.67 | CARM1 (0.36) | GAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5621133-A | PREPARING A 1-(3,4-DIALKOXYPHENYL),3-HYDROXYALKANE(C6-C12) BY EPOXIDIZING A HALO DERIVATIVE WITH A BASE FOLLOWED BY DECYCLICIZING WITH AN ORGANOMETALLIC COMPOUND IN A SOLVENT; NAPHTHYLENES, ISOCHROMENES AND ISOTHIOCHROMENES | DENINNO MICHAEL P (US) | 1997-04-15 | — | — | US | disclosed |
| US-5591884-A | PROTECTED HYDROXYALKYLCATECHOL INTERMEDIATES | ABBOTT LABORATORIES (US) | 1997-01-07 | — | — | US | disclosed |
| WO-1996038435-A1 | DOPAMINE AGONISTS | ABBOTT LABORATORIES (US) | 1996-12-05 | — | — | WO | disclosed |