Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | PTPRA | P18433 | 1/20 | 0.34 |
| ▸ | NAPRT | Q6XQN6 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | AGER | Q15109 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL8831554 | 0.71 | PTGS2 (0.42) | PTPRANAPRTLMNAL3MBTL1P4HTM | |
| SCHEMBL6999564 | 0.70 | SRC (0.44) | CES2CES1PTPRANAPRTLMNA | |
| Hydrochloric Acid SCHEMBL22775404 | 0.70 | PTGS2 (0.41) | PTPRANAPRTLMNAL3MBTL1P4HTM | |
| SCHEMBL7527146 | 0.70 | SRC (0.50) | CES2CES1LMNAL3MBTL1KDM4E | |
| SCHEMBL8766788 | 0.69 | KDM4E (0.41) | NAPRTLMNAKDM4ETSHRGAA | |
| SCHEMBL22744121 | 0.69 | HDAC8 (0.30) | L3MBTL1ALDH1A1MAPTNPSR1HTT | |
| SCHEMBL8766512 | 0.68 | CYP1A2 (0.41) | CES1NAPRTALDH1A1CYP1A2 | |
| SCHEMBL86412 | 0.65 | MEN1 (0.44) | LMNAL3MBTL1ALDH1A1CYP1A2GAA | |
| SCHEMBL22744134 | 0.64 | HDAC8 (0.34) | — | |
| SCHEMBL24327756 | 0.62 | KMT2A (0.35) | PTPRANAPRTLMNAL3MBTL1P4HTM |
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 |