Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | MC4R | P32245 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | MC3R | P41968 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6037597 | 0.76 | LMNA (0.51) | KDM4ENAPRTHCAR2LMNATSHR | |
| SCHEMBL11678794 | 0.75 | KDM4E (0.48) | KDM4ENAPRTHCAR2LMNATSHR | |
| SCHEMBL10484478 | 0.74 | LMNA (0.50) | KDM4ENAPRTHCAR2LMNATSHR | |
| SCHEMBL29408045 | 0.73 | KDM4E (0.34) | KDM4ENAPRTHCAR2LMNATSHR | |
| SCHEMBL22744493 | 0.73 | KDM4E (0.34) | KDM4ENAPRTHCAR2LMNATSHR | |
| Pyrazine SCHEMBL4235261 | 0.72 | KDM4E (0.45) | KDM4ENAPRTHCAR2LMNATSHR | |
| SCHEMBL25660372 | 0.72 | KDM4E (0.45) | KDM4ENAPRTHCAR2LMNATSHR | |
| Hydrochloric Acid SCHEMBL28153892 | 0.70 | KDM4E (0.44) | KDM4ENAPRTHCAR2LMNATSHR | |
| SCHEMBL28114415 | 0.70 | ADORA3 (0.47) | KDM4ENAPRTHCAR2LMNATSHR | |
| SCHEMBL8766799 | 0.70 | TBXAS1 (0.38) | KDM4ENAPRTHCAR2LMNA |
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 |