Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 7/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | RAMP1 | O60894 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 5/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.31 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.31 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.30 |
| ▸ | CNR2 | P34972 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13601566 | 1.00 | CALCRL (0.35) | CALCRLCYP3A4RAMP1CYP1A2OPRK1 | |
| SCHEMBL13601567 | 0.97 | CALCRL (0.33) | CALCRLCYP3A4RAMP1CYP1A2OPRK1 | |
| SCHEMBL13601582 | 0.97 | CALCRL (0.33) | CALCRLCYP3A4RAMP1CYP1A2OPRK1 | |
| SCHEMBL13601557 | 0.91 | CALCRL (0.35) | CALCRLCYP3A4OPRK1ALDH1A1 | |
| SCHEMBL13601574 | 0.91 | CALCRL (0.35) | CALCRLCYP3A4OPRK1ALDH1A1 | |
| SCHEMBL13601573 | 0.90 | CALCRL (0.36) | CALCRLCYP3A4MEN1KMT2AKDM4E | |
| SCHEMBL13601555 | 0.90 | CALCRL (0.36) | CALCRLCYP3A4MEN1KMT2AKDM4E | |
| SCHEMBL13601576 | 0.90 | CALCRL (0.34) | CALCRLCYP3A4 | |
| SCHEMBL13601564 | 0.90 | CALCRL (0.34) | CALCRLCYP3A4OPRK1 | |
| SCHEMBL13601562 | 0.90 | CALCRL (0.34) | CALCRLCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-7625886-B2 | Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-12-01 | — | — | US | disclosed |
| US-7625886-B2 | Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-12-01 | — | — | US | disclosed |