Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.49 |
| ▸ | LMNA | P02545 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 4/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.41 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.41 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13601627 | 0.91 | NPC1 (0.58) | NPC1ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL13601628 | 0.88 | NPC1 (0.55) | NPC1ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL13601630 | 0.85 | NPC1 (0.54) | NPC1ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL13601633 | 0.82 | NPC1 (0.55) | NPC1ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL13601654 | 0.81 | TSHR (0.51) | NPC1ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL10274470 | 0.79 | NPC1 (0.74) | NPC1ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL13601455 | 0.79 | POLB (0.51) | ALDH1A1LMNAKMT2APOLBSMN1; SMN2 | |
| SCHEMBL27456239 | 0.79 | NPC1 (0.59) | NPC1ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL13601635 | 0.79 | LMNA (0.55) | NPC1ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL14293823 | 0.78 | GAA (0.50) | NPC1ALDH1A1LMNAMEN1KMT2A |
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 |