Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXA2R | P21731 | 2/20 | 0.38 |
| ▸ | TBXAS1 | P24557 | 10/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | KMO | O15229 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 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 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 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 | |
|---|---|---|---|---|
| SCHEMBL8765884 | 0.75 | CYP2D6 (0.38) | TBXA2RTBXAS1CYP1A2HDAC3MAPK1 | |
| SCHEMBL8766799 | 0.73 | TBXAS1 (0.38) | TBXA2RTBXAS1CYP2D6NFKB1LMNA | |
| SCHEMBL8766512 | 0.71 | CYP1A2 (0.41) | CYP1A2CES1P2RX7HDAC4SLC6A9 | |
| SCHEMBL8766712 | 0.70 | POLB (0.41) | CYP1A2HDAC3MAPK1ADRA1AHDAC4 | |
| SCHEMBL8765585 | 0.69 | HPGD (0.48) | TBXAS1CYP1A2CES1HDAC3MAPK1 | |
| SCHEMBL27654405 | 0.68 | TBXA2R (0.47) | TBXA2RTBXAS1CYP1A2CES1P2RX7 | |
| SCHEMBL6046250 | 0.66 | CYP1A2 (0.50) | TBXA2RTBXAS1CYP1A2CES1HDAC3 | |
| Adipic Acid SCHEMBL26662205 | 0.66 | TBXA2R (0.48) | TBXA2RTBXAS1CYP1A2CES1P2RX7 | |
| Adipic Acid SCHEMBL26662210 | 0.66 | TBXA2R (0.48) | TBXA2RTBXAS1CYP1A2CES1P2RX7 | |
| SCHEMBL27449978 | 0.65 | TBXAS1 (0.53) | TBXA2RTBXAS1CYP1A2CES1HDAC3 |
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 |