Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | HPGD | P15428 | 4/20 | 0.52 |
| ▸ | CES2 | O00748 | 9/20 | 0.46 |
| ▸ | CES1 | P23141 | 8/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3828647 | 0.80 | RAB9A (0.62) | RAB9AHPGDCES2CES1NPC1 | |
| SCHEMBL3829873 | 0.76 | RAB9A (0.71) | RAB9AHPGDCES2CES1NPC1 | |
| Benzil SCHEMBL27731550 | 0.72 | HPGD (0.62) | RAB9AHPGDCES2CES1 | |
| SCHEMBL4140401 | 0.71 | RAB9A (1.00) | RAB9AHPGDCES2CES1NPC1 | |
| SCHEMBL634452 | 0.71 | NAMPT (0.56) | RAB9AHDAC1HDAC6KMT2A | |
| SCHEMBL1756743 | 0.70 | MEN1 (0.45) | RAB9AHPGDNPC1ALDH1A1HTT | |
| SCHEMBL30671562 | 0.70 | RAB9A (0.96) | RAB9AHPGDCES2CES1NPC1 | |
| Benzil SCHEMBL27395782 | 0.69 | CES2 (0.64) | RAB9AHPGDCES2CES1ALDH1A1 | |
| SCHEMBL22077519 | 0.69 | NAMPT (0.56) | HPGDALDH1A1MAPTHDAC1HDAC6 | |
| SCHEMBL29992460 | 0.69 | MAPK1 (0.49) | HDAC1HDAC6KMT2A |
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-0999835-B1 | IMIDAZOLE DERIVATIVES AS MDR MODULATORS | TAIJI BIOMEDICAL INC (US) | 2009-09-09 | — | — | EP | disclosed |
| US-5840721-A | INCREASE SENSITIVITY OF MULTIDRUG RESISTANT TUMOR CELLS TO ANTICANCER AGENTS | ONTOGEN CORPORATION (US) | 1998-11-24 | — | — | US | disclosed |