Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TBXAS1 | P24557 | 6/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8766799 | 0.76 | TBXAS1 (0.38) | CYP2D6MAPTNFKB1LMNATBXAS1 | |
| SCHEMBL8766536 | 0.75 | TBXA2R (0.38) | CYP2D6MAPTCYP1A2NFKB1LMNA | |
| SCHEMBL8766712 | 0.72 | POLB (0.41) | CYP2D6MAPTCYP1A2CYP2C19NFKB1 | |
| SCHEMBL8765585 | 0.71 | HPGD (0.48) | CYP2D6MAPTCYP1A2CYP2C19HSD17B10 | |
| SCHEMBL8495070 | 0.67 | LMNA (0.31) | LMNA | |
| SCHEMBL8765939 | 0.66 | CES2 (0.34) | MAPTCYP1A2CYP2C19LMNASMN1; SMN2 | |
| SCHEMBL7738368 | 0.65 | LMNA (0.48) | CYP2D6MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL2235480 | 0.65 | LMNA (0.48) | CYP2D6MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL2234954 | 0.65 | ENPEP (0.40) | LMNASMN1; SMN2TBXAS1ALDH1A1TBXA2R | |
| SCHEMBL3936899 | 0.64 | SMN1; SMN2 (0.52) | MAPTCYP1A2CYP2C19LMNASMN1; 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 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 |