Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | GNAI3 | P08754 | 7/20 | 0.46 |
| ▸ | GNAO1 | P09471 | 7/20 | 0.46 |
| ▸ | GNAI1 | P63096 | 7/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13601628 | 0.94 | NPC1 (0.55) | NPC1ALDH1A1HPGDLMNAMEN1 | |
| SCHEMBL13601626 | 0.91 | NPC1 (0.57) | NPC1ALDH1A1HPGDLMNAMEN1 | |
| SCHEMBL13601633 | 0.86 | NPC1 (0.55) | NPC1ALDH1A1HPGDLMNAMEN1 | |
| SCHEMBL13601630 | 0.82 | NPC1 (0.54) | NPC1ALDH1A1HPGDLMNAMEN1 | |
| SCHEMBL13601659 | 0.82 | LMNA (0.49) | NPC1ALDH1A1HPGDLMNAMEN1 | |
| SCHEMBL9062091 | 0.81 | NPC1 (0.81) | NPC1ALDH1A1HPGDLMNAMEN1 | |
| SCHEMBL13601405 | 0.81 | POLB (0.49) | ALDH1A1HPGDLMNAMEN1KMT2A | |
| SCHEMBL13601637 | 0.80 | HRH3 (0.54) | NPC1ALDH1A1HPGDLMNAMEN1 | |
| SCHEMBL12881491 | 0.80 | GNAI3 (0.69) | ALDH1A1LMNATSHRPOLBGNAI3 | |
| SCHEMBL7339506 | 0.80 | LMNA (0.61) | NPC1ALDH1A1HPGDLMNAMEN1 |
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 |