Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.53 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | CNR1 | P21554 | 1/20 | 0.49 |
| ▸ | KDR | P35968 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | ABL1 | P00519 | 1/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.46 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.46 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28115752 | 0.84 | CYP2A6 (0.51) | CYP2A6ALDH1A1CYP1A2CYP3A4NPC1 | |
| SCHEMBL2652567 | 0.82 | AXL (0.56) | CYP2A6ALDH1A1CYP1A2CYP3A4NPC1 | |
| SCHEMBL3946385 | 0.82 | IDO1 (0.53) | CYP2A6ALDH1A1CYP1A2CYP3A4NPC1 | |
| SCHEMBL8360922 | 0.82 | CYP2A6 (0.51) | CYP2A6ALDH1A1CYP1A2CYP3A4NPC1 | |
| SCHEMBL2652392 | 0.82 | CYP11B1 (0.54) | CYP2A6ALDH1A1CYP1A2CYP3A4NPC1 | |
| SCHEMBL16574106 | 0.82 | CYP2A6 (0.51) | CYP2A6ALDH1A1CYP1A2CYP3A4NPC1 | |
| SCHEMBL1422686 | 0.81 | NPC1 (0.72) | ALDH1A1CYP1A2CYP3A4NPC1RAB9A | |
| SCHEMBL25871478 | 0.80 | CYP2A6 (0.51) | CYP2A6ALDH1A1CYP1A2CYP3A4NPC1 | |
| SCHEMBL30207083 | 0.80 | CYP2A6 (0.51) | CYP2A6ALDH1A1CYP1A2CYP3A4NPC1 | |
| SCHEMBL16982975 | 0.79 | CYP2A6 (0.51) | CYP2A6ALDH1A1CYP1A2CYP3A4NPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0773248-B1 | Polymers with heterocyclic side groups | MISSISSIPPI POLYMER TECHNOLOGI (US) | 2002-10-02 | — | — | EP | disclosed |
| US-5668245-A | PHENYLENE POLYMERS WITH HETEROCYCLIC SIDE GROUPS | MAXDEM INCORPORATED (US) | 1997-09-16 | — | — | US | disclosed |
| EP-0773248-A1 | Polymers with heterocyclic side groups | MAXDEM INCORPORATED (US) | 1997-05-14 | — | — | EP | disclosed |