Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.64 |
| ▸ | TSHR | P16473 | 3/20 | 0.64 |
| ▸ | USP2 | O75604 | 2/20 | 0.64 |
| ▸ | TP53 | P04637 | 5/20 | 0.61 |
| ▸ | MAPT | P10636 | 4/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.61 |
| ▸ | HPGD | P15428 | 5/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | PKM | P14618 | 2/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | THRB | P10828 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | GLA | P06280 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL30611753 | 0.83 | ALDH1A1 (0.70) | ALDH1A1KDM4EHSD17B10TSHRUSP2 | |
| SCHEMBL26922913 | 0.83 | ALDH1A1 (0.70) | ALDH1A1KDM4EHSD17B10TSHRUSP2 | |
| SCHEMBL18890543 | 0.82 | MAPT (0.60) | ALDH1A1KDM4EHSD17B10TSHRTP53 | |
| SCHEMBL28322548 | 0.81 | TP53 (0.71) | ALDH1A1KDM4ETSHRTP53MAPT | |
| SCHEMBL28186980 | 0.79 | ALDH1A1 (0.64) | ALDH1A1KDM4EHSD17B10TSHRUSP2 | |
| SCHEMBL28941646 | 0.79 | ALDH1A1 (0.55) | ALDH1A1KDM4EHSD17B10TSHRUSP2 | |
| SCHEMBL29603102 | 0.79 | ALDH1A1 (0.55) | ALDH1A1KDM4EHSD17B10TSHRUSP2 | |
| SCHEMBL29602447 | 0.79 | ALDH1A1 (0.55) | ALDH1A1KDM4EHSD17B10TSHRUSP2 | |
| SCHEMBL28751104 | 0.79 | ALDH1A1 (0.55) | ALDH1A1KDM4EHSD17B10TSHRUSP2 | |
| SCHEMBL28378126 | 0.78 | ALDH1A1 (1.00) | ALDH1A1KDM4EHSD17B10TSHRUSP2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014027053-A1 | BENZIMIDAZOLES FOR THE TREATMENT OF CANCER | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2014-02-20 | — | — | WO | claimed |
| WO-2014027053-A1 | BENZIMIDAZOLES FOR THE TREATMENT OF CANCER | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2014-02-20 | — | — | WO | disclosed |