Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | NAPRT | Q6XQN6 | 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 | |
|---|---|---|---|---|
| SCHEMBL21933011 | 0.83 | CYP1A2 (0.45) | CYP1A2P2RX7SLC6A9CES1ALDH1A1 | |
| SCHEMBL8766536 | 0.71 | TBXA2R (0.38) | CYP1A2P2RX7SLC6A9HDAC4CES1 | |
| SCHEMBL8765939 | 0.68 | CES2 (0.34) | CYP1A2CES1ALDH1A1NAPRT | |
| SCHEMBL10772463 | 0.68 | P2RX7 (0.41) | CYP1A2P2RX7SLC6A9 | |
| SCHEMBL4788419 | 0.68 | HTT (0.47) | CYP1A2P2RX7SLC6A9HDAC4ALDH1A1 | |
| SCHEMBL7527146 | 0.67 | SRC (0.50) | HDAC4CES1ALDH1A1 | |
| SCHEMBL8766788 | 0.67 | KDM4E (0.41) | NAPRT | |
| SCHEMBL4269628 | 0.66 | — | — | |
| SCHEMBL8766530 | 0.66 | CYP1A2 (0.49) | CYP1A2P2RX7CES1 | |
| SCHEMBL30556889 | 0.66 | CYP1A2 (0.45) | CYP1A2P2RX7SLC6A9CES1 |
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 |