Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ACACB | O00763 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7831335 | 0.84 | SMN1; SMN2 (0.47) | SMN1; SMN2CYP3A4MAPTTSHRACACB | |
| SCHEMBL1744754 | 0.84 | ALDH1A1 (0.52) | SMN1; SMN2CYP3A4MAPTTSHRACACB | |
| SCHEMBL1744756 | 0.84 | ALDH1A1 (0.52) | SMN1; SMN2CYP3A4MAPTTSHRACACB | |
| SCHEMBL3350932 | 0.82 | KDM6B (0.54) | SMN1; SMN2CYP3A4TSHRNPC1RAB9A | |
| SCHEMBL3350938 | 0.82 | KDM6B (0.54) | SMN1; SMN2CYP3A4TSHRNPC1RAB9A | |
| SCHEMBL3359174 | 0.82 | KDM6B (0.54) | SMN1; SMN2CYP3A4TSHRNPC1RAB9A | |
| SCHEMBL5571270 | 0.80 | MEN1 (0.41) | SMN1; SMN2MAPTTSHRNPC1RAB9A | |
| SCHEMBL7831262 | 0.78 | SMN1; SMN2 (0.41) | SMN1; SMN2CYP3A4MAPTTSHRACACB | |
| SCHEMBL27963133 | 0.78 | CYP3A4 (0.56) | SMN1; SMN2CYP3A4MAPTALDH1A1CYP2D6 | |
| SCHEMBL27963134 | 0.78 | CYP3A4 (0.56) | SMN1; SMN2CYP3A4MAPTALDH1A1CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1740577-A2 | SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005103037-A2 | SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-11-03 | — | — | WO | disclosed |