Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCC1 | P33527 | 2/20 | 0.57 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.54 |
| ▸ | ACLY | P53396 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | FABP4 | P15090 | 2/20 | 0.42 |
| ▸ | FABP5 | Q01469 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5460557 | 0.87 | FLT3 (0.51) | ABCC1ABCG2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5449307 | 0.85 | NPC1 (0.46) | ABCC1ABCG2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL12903924 | 0.81 | MAPT (0.60) | NPC1RAB9ASMN1; SMN2GAAKMT2A | |
| SCHEMBL8329259 | 0.79 | ABCC1 (0.63) | ABCC1ABCG2ACLYGAAMAPT | |
| SCHEMBL2210016 | 0.73 | ABCC1 (0.63) | ABCC1ABCG2ACLYNPC1RAB9A | |
| SCHEMBL5450627 | 0.72 | AURKA (0.50) | NPC1RAB9ASMN1; SMN2GAAMEN1 | |
| SCHEMBL3497629 | 0.72 | ABCC1 (0.55) | ABCC1ABCG2ACLYNPC1RAB9A | |
| SCHEMBL21250173 | 0.72 | MEN1 (0.60) | ABCC1ABCG2ACLYSMN1; SMN2MEN1 | |
| SCHEMBL3498296 | 0.72 | ABCC1 (0.77) | ABCC1ABCG2ACLYNPC1RAB9A | |
| SCHEMBL16817586 | 0.71 | ABCC1 (0.41) | ABCC1ABCG2ACLYNPC1RAB9A |
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-1670804-A2 | HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS | GPC Biotech AG (DE) | 2006-06-21 | — | — | EP | disclosed |
| WO-2005023818-A2 | HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS | GPC BIOTECH AG (DE) | 2005-03-17 | — | — | WO | disclosed |