Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13601633 | 0.92 | NPC1 (0.55) | NPC1ALDH1A1LMNAHPGDMEN1 | |
| SCHEMBL13601626 | 0.85 | NPC1 (0.57) | NPC1ALDH1A1LMNAHPGDMEN1 | |
| SCHEMBL12881502 | 0.85 | GNAI3 (0.50) | NPC1ALDH1A1LMNAHPGDMEN1 | |
| SCHEMBL13601664 | 0.84 | DNM1 (0.46) | ALDH1A1LMNAHPGDMEN1KMT2A | |
| SCHEMBL13601627 | 0.82 | NPC1 (0.58) | NPC1ALDH1A1LMNAHPGDMEN1 | |
| SCHEMBL13601415 | 0.82 | POLB (0.48) | NPC1ALDH1A1KMT2ADNM1POLB | |
| SCHEMBL12881513 | 0.81 | BDKRB1 (0.43) | ALDH1A1LMNAMEN1KMT2ADNM1 | |
| SCHEMBL14174867 | 0.81 | NPC1 (0.69) | NPC1ALDH1A1LMNAHPGDMEN1 | |
| SCHEMBL12881518 | 0.80 | BDKRB1 (0.43) | ALDH1A1LMNAMEN1KMT2ADNM1 | |
| SCHEMBL13601628 | 0.80 | NPC1 (0.55) | NPC1ALDH1A1LMNAHPGDMEN1 |
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 |