Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | LTA4H | P09960 | 5/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.50 |
| ▸ | ACHE | P22303 | 2/20 | 0.49 |
| ▸ | BCHE | P06276 | 1/20 | 0.49 |
| ▸ | BACE1 | P56817 | 1/20 | 0.49 |
| ▸ | FUCA1 | P04066 | 2/20 | 0.49 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL741364 | 0.91 | ALDH1A1 (0.81) | ALDH1A1CYP3A4CYP1A2NPC1RAB9A | |
| SCHEMBL72716 | 0.91 | ALDH1A1 (0.81) | ALDH1A1CYP3A4CYP1A2NPC1RAB9A | |
| SCHEMBL608225 | 0.91 | ALDH1A1 (0.81) | ALDH1A1CYP3A4CYP1A2NPC1RAB9A | |
| Water SCHEMBL2362659 | 0.89 | ALDH1A1 (0.78) | ALDH1A1CYP3A4CYP1A2NPC1RAB9A | |
| SCHEMBL1667057 | 0.87 | ALDH1A1 (0.57) | ALDH1A1CYP3A4CYP2C9CYP1A2NPC1 | |
| SCHEMBL6403733 | 0.87 | ALDH1A1 (0.57) | ALDH1A1CYP3A4CYP2C9CYP1A2NPC1 | |
| SCHEMBL6398126 | 0.85 | CHRNB2 (0.59) | ALDH1A1SIGMAR1SLC18A3 | |
| SCHEMBL5205368 | 0.81 | ALDH1A1 (1.00) | ALDH1A1CYP3A4CYP1A2LTA4HFUCA1 | |
| SCHEMBL1787570 | 0.81 | ALDH1A1 (1.00) | ALDH1A1CYP3A4CYP1A2LTA4HFUCA1 | |
| SCHEMBL1552926 | 0.81 | ALDH1A1 (1.00) | ALDH1A1CYP3A4CYP1A2LTA4HFUCA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1027262-C | Benzazepine and benzothiazepine derivatives | E R SQUID & SONS INC (US) | 1995-01-04 | — | — | CN | disclosed |
| CN-1039585-A | BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES | SQUIBB & SONS INC (US) | 1990-02-14 | — | — | CN | disclosed |