Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 4/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15064034 | 0.71 | TSHR (0.40) | TDP1ALDH1A1HSD17B10TSHRACHE | |
| SCHEMBL27913899 | 0.69 | TSHR (0.38) | TDP1ALDH1A1TSHRSMN1; SMN2CYP3A4 | |
| SCHEMBL196663 | 0.69 | ALDH1A1 (0.56) | TDP1ALDH1A1HSD17B10TSHRSMN1; SMN2 | |
| SCHEMBL458354 | 0.67 | HSD17B10 (0.52) | TDP1ALDH1A1HSD17B10TSHRSMN1; SMN2 | |
| SCHEMBL455622 | 0.67 | ALDH1A1 (0.48) | TDP1ALDH1A1HSD17B10TSHRSMN1; SMN2 | |
| SCHEMBL5474301 | 0.65 | ALDH1A1 (0.42) | TDP1ALDH1A1HSD17B10TSHRSMN1; SMN2 | |
| SCHEMBL456292 | 0.64 | TSHR (0.50) | TDP1ALDH1A1HSD17B10TSHRSMN1; SMN2 | |
| SCHEMBL58127 | 0.64 | HSD17B10 (0.54) | TDP1ALDH1A1HSD17B10TSHRSMN1; SMN2 | |
| SCHEMBL5581668 | 0.62 | — | — | |
| SCHEMBL27664795 | 0.62 | TSHR (0.52) | TDP1ALDH1A1HSD17B10TSHRSMN1; SMN2 |
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-2379529-B1 | CGRP-ANTAGONISTS | BOEHRINGER INGELHEIM INT (DE) | 2015-06-10 | — | — | EP | disclosed |
| EP-2379529-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-10-26 | — | — | EP | disclosed |
| WO-2010070022-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-06-24 | — | — | WO | disclosed |