Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 6/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | F2 | P00734 | 3/20 | 0.38 |
| ▸ | TMPRSS4 | Q9NRS4 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | F10 | P00742 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL7531044 | 0.82 | PRSS1 (0.50) | MGLLF2F10LMNAITGB3 | |
| SCHEMBL8780954 | 0.80 | NOS1 (0.50) | CA1CA2F2CYP2D6ALDH1A1 | |
| SCHEMBL4843038 | 0.75 | IDO1 (0.53) | CYP2D6NPC1CYP3A4NOS1RAB9A | |
| SCHEMBL12401897 | 0.74 | NOS1 (0.45) | F2CYP2D6F10NPC1CYP3A4 | |
| Hydrochloric Acid SCHEMBL4714243 | 0.73 | IDO1 (0.55) | CYP2D6NPC1CYP3A4NOS1RAB9A | |
| SCHEMBL12376924 | 0.72 | NOS1 (0.43) | F2CYP2D6F10NPC1CYP3A4 | |
| SCHEMBL12401872 | 0.72 | CYP3A4 (0.43) | CA2CYP2D6TP53ALDH1A1LMNA | |
| SCHEMBL29001390 | 0.72 | MGLL (0.48) | MGLLCA1CA2F2TMPRSS4 | |
| SCHEMBL4847288 | 0.71 | IDO1 (0.58) | LMNA | |
| SCHEMBL29001383 | 0.71 | MGLL (0.47) | MGLLCA1CA2CA12CA4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0623146-B1 | COMPOSITIONS AND METHODS FOR INHIBITING BETA-PROTEIN FUNCTION | HARVARD COLLEGE (US) | 2002-04-17 | — | — | EP | disclosed |
| US-5506097-A | CONTACTING ALZHEIMER AMYLOID BETA-PROTEIN WITH EBELACTONE A OR PARA-AMIDINOPHENYLMETHANESULFONYL FLUORIDE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 1996-04-09 | — | — | US | disclosed |
| EP-0623146-A1 | COMPOUNDS AND METHODS FOR INHIBITING $g(b)-PROTEIN FUNCTION | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 1994-11-09 | — | — | EP | disclosed |
| WO-1993015112-A2 | COMPOUNDS AND METHODS FOR INHIBITING β-PROTEIN FUNCTION | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 1993-08-05 | — | — | WO | disclosed |