Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTNNB1 | P35222 | 8/20 | 0.50 |
| ▸ | WNT3A | P56704 | 8/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | PIR | O00625 | 2/20 | 0.42 |
| ▸ | HSF1 | Q00613 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10373271 | 0.92 | MTNR1A (0.43) | CTNNB1WNT3ATSHRKDM4EALDH1A1 | |
| SCHEMBL2584405 | 0.83 | CTNNB1 (0.41) | CTNNB1WNT3APIRHSF1KDM4E | |
| SCHEMBL30035713 | 0.82 | SMN1; SMN2 (0.53) | CTNNB1WNT3APIRHSF1KDM4E | |
| SCHEMBL23578364 | 0.82 | SMN1; SMN2 (0.53) | CTNNB1WNT3APIRHSF1KDM4E | |
| SCHEMBL14405286 | 0.80 | CTNNB1 (0.41) | CTNNB1WNT3APIRHSF1MTNR1A | |
| SCHEMBL26133140 | 0.78 | KDM4E (0.47) | CTNNB1WNT3APIRHSF1KDM4E | |
| SCHEMBL28663847 | 0.78 | TSHR (0.45) | TSHRKDM4EALDH1A1HSD17B10POLB | |
| SCHEMBL13943181 | 0.78 | TSHR (0.45) | TSHRALDH1A1HSD17B10POLB | |
| SCHEMBL1726294 | 0.77 | CTNNB1 (0.61) | CTNNB1WNT3APIRHSF1KDM4E | |
| SCHEMBL10158650 | 0.75 | CTNNB1 (0.42) | CTNNB1WNT3APIRHSF1MTNR1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0785782-A1 | DISUBSTITUTED ACETYLENES BEARING HETEROAROMATIC AND HETEROBICYCLIC GROUPS HAVING RETINOID-LIKE ACTIVITY | Allergan (US) | 1997-07-30 | — | — | EP | disclosed |
| WO-1996011686-A1 | DISUBSTITUTED ACETYLENES BEARING HETEROAROMATIC AND HETEROBICYCLIC GROUPS HAVING RETINOID-LIKE ACTIVITY | ALLERGAN (US) | 1996-04-25 | — | — | WO | disclosed |