Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4629209 | 1.00 | ALDH1A1 (0.39) | ALDH1A1CHRM1TP53TDP1SMN1; SMN2 | |
| SCHEMBL4719811 | 0.82 | ALDH1A1 (0.36) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL4629096 | 0.82 | ALDH1A1 (0.36) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL3311722 | 0.79 | ALDH1A1 (0.40) | ALDH1A1CHRM1TP53TDP1SMN1; SMN2 | |
| SCHEMBL1206605 | 0.79 | ALDH1A1 (0.40) | ALDH1A1CHRM1TP53TDP1SMN1; SMN2 | |
| SCHEMBL2330898 | 0.71 | ALDH1A1 (0.43) | ALDH1A1MEN1KMT2A | |
| SCHEMBL4014963 | 0.71 | ALDH1A1 (0.43) | ALDH1A1MEN1KMT2A | |
| SCHEMBL9330353 | 0.71 | SCN1A (0.49) | ALDH1A1CHRM1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL12881559 | 0.71 | CHRM1 (0.51) | ALDH1A1CHRM1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL2567582 | 0.70 | SLC6A2 (0.43) | ALDH1A1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1558600-B1 | SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT | BOEHRINGER INGELHEIM PHARMA (DE) | 2008-05-07 | — | — | EP | disclosed |
| EP-1558600-A1 | SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2005-08-03 | — | — | EP | disclosed |
| WO-2004037810-A1 | SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-05-06 | — | — | WO | disclosed |