Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | VNN1 | O95497 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.31 |
| ▸ | ABL1 | P00519 | 1/20 | 0.31 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | NAMPT | P43490 | 1/20 | 0.30 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL8765876 | 0.76 | NAAA (0.35) | NOS1 | |
| SCHEMBL8766530 | 0.74 | CYP1A2 (0.49) | VNN1TBXAS1CYP2C9NAMPTNOS1 | |
| SCHEMBL27486167 | 0.72 | GNPAT (0.40) | KDM4EVNN1LMNAMAPTPSMB11 | |
| SCHEMBL27734711 | 0.72 | ADORA3 (0.40) | KDM4ENAPRTHCAR2VNN1HDAC3 | |
| SCHEMBL27734710 | 0.72 | ADORA3 (0.40) | KDM4ENAPRTHCAR2VNN1HDAC3 | |
| SCHEMBL1649008 | 0.72 | TBXAS1 (0.47) | KDM4ENAPRTHCAR2VNN1HDAC3 | |
| SCHEMBL1648470 | 0.70 | TBXAS1 (0.54) | KDM4ENAPRTHCAR2TBXAS1MAPT | |
| SCHEMBL28362525 | 0.70 | HSP90AA1 (0.40) | KDM4ENAPRTHCAR2VNN1HDAC3 | |
| SCHEMBL15798754 | 0.70 | ALDH1A1 (0.36) | KDM4EVNN1LMNAHDAC3HDAC1 | |
| SCHEMBL1648907 | 0.69 | TBXAS1 (0.55) | LMNATBXAS1MAPTTSHR |
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 |