Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.38 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.38 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL48487 | 0.79 | POLB (0.45) | TP53TSHRSMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL22171142 | 0.79 | ALDH1A1 (0.53) | TP53TSHRSMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL2735017 | 0.79 | GNAI3 (0.50) | MAPTALDH1A1POLBGNAI3GNAO1 | |
| SCHEMBL15450981 | 0.79 | ALDH1A1 (0.53) | TP53TSHRSMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL13713287 | 0.79 | ALDH1A1 (0.57) | TP53SMN1; SMN2MAPTALDH1A1L3MBTL1 | |
| SCHEMBL429660 | 0.78 | TP53 (0.48) | TP53TSHRSMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL2164158 | 0.77 | TP53 (0.44) | TP53TSHRSMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL6985188 | 0.77 | TP53 (0.44) | TP53TSHRSMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL1773952 | 0.77 | TP53 (0.52) | TP53TSHRSMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL19343096 | 0.76 | GNAI3 (0.48) | MAPTALDH1A1POLBGNAI3GNAO1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7696195-B2 | Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-13 | — | — | US | disclosed |
| US-7205294-B2 | Selected CGRP-antagonists process for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-04-17 | — | — | US | disclosed |
| US-7205294-B2 | Selected CGRP-antagonists process for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-04-17 | — | — | US | disclosed |