Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | THRA | P10827 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12774140 | 0.88 | TP53 (0.42) | TP53ALDH1A1MGLLSMN1; SMN2KMT2A | |
| SCHEMBL13601395 | 0.87 | TSHR (0.38) | ALDH1A1MGLLSMN1; SMN2HTTHPGD | |
| SCHEMBL13601439 | 0.85 | POLB (0.43) | TP53ALDH1A1MGLLSMN1; SMN2KMT2A | |
| SCHEMBL12774151 | 0.81 | TP53 (0.36) | TP53ALDH1A1MGLLPAOXSMN1; SMN2 | |
| SCHEMBL8002029 | 0.80 | TP53 (0.49) | TP53ALDH1A1PAOXSMN1; SMN2KMT2A | |
| SCHEMBL20762100 | 0.78 | TP53 (0.51) | TP53ALDH1A1PAOXSMN1; SMN2LMNA | |
| SCHEMBL31436132 | 0.77 | TP53 (0.48) | TP53ALDH1A1PAOXSMN1; SMN2MAPT | |
| SCHEMBL3836410 | 0.76 | LMNA (0.48) | ALDH1A1MGLLLMNAMAPT | |
| SCHEMBL7277386 | 0.76 | ALDH1A1 (0.44) | ALDH1A1MGLLLMNAMAPT | |
| SCHEMBL12773998 | 0.76 | CYP2C9 (0.37) | ALDH1A1MGLLSMN1; SMN2KMT2ALMNA |
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 1 patent. 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 |