Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNM1 | Q05193 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 2/20 | 0.39 |
| ▸ | THRA | P10827 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13601506 | 0.91 | DNM1 (0.43) | DNM1TP53PAOXTHRBTHRA | |
| SCHEMBL12881392 | 0.87 | DNM1 (0.43) | DNM1TP53CHRM2CHRM4CHRM5 | |
| SCHEMBL12881452 | 0.86 | TP53 (0.42) | DNM1TP53CHRM2CHRM4CHRM5 | |
| SCHEMBL12774130 | 0.86 | TP53 (0.42) | DNM1TP53CHRM2CHRM4CHRM5 | |
| SCHEMBL13601611 | 0.85 | CHRM2 (0.43) | DNM1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL11668905 | 0.84 | ALDH1A1 (0.48) | DNM1THRBTHRASMN1; SMN2ALDH1A1 | |
| SCHEMBL13601415 | 0.83 | POLB (0.48) | DNM1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL13485578 | 0.81 | TP53 (0.47) | TP53PAOXTHRBTHRASMN1; SMN2 | |
| SCHEMBL123476 | 0.81 | THRB (0.48) | TP53CHRM2CHRM4CHRM5PAOX | |
| SCHEMBL13601664 | 0.81 | DNM1 (0.46) | DNM1CHRM2CHRM4CHRM5CHRM1 |
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 |