Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 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 | |
|---|---|---|---|---|
| Propionaldehyde SCHEMBL27544770 | 0.88 | ALDH1A1 (0.53) | ALDH1A1MAPK1TDP1CYP2A6KMT2A | |
| Fluoride SCHEMBL27331410 | 0.80 | ALDH1A1 (0.93) | ALDH1A1DRD2DRD4DRD3MAPK1 | |
| Fluoride SCHEMBL27323476 | 0.80 | — | — | |
| Propionaldehyde SCHEMBL27520963 | 0.77 | ALDH1A1 (0.41) | ALDH1A1MAPK1TDP1CYP2A6KMT2A | |
| SCHEMBL808 | 0.77 | — | — | |
| Bromobenzene SCHEMBL28023281 | 0.76 | ALDH1A1 (0.55) | ALDH1A1MAPK1TDP1CYP2A6KMT2A | |
| Fluoride SCHEMBL27753775 | 0.76 | ALDH1A1 (0.56) | ALDH1A1MAPK1TDP1KMT2AMEN1 | |
| Alcohol SCHEMBL28494115 | 0.75 | ALDH1A1 (0.72) | ALDH1A1DRD2DRD4DRD3TDP1 | |
| Formaldehyde SCHEMBL28222482 | 0.75 | ALDH1A1 (0.81) | ALDH1A1DRD2DRD4DRD3MAPK1 | |
| Hydrochloric Acid SCHEMBL29138708 | 0.74 | — | — |
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-101374835-B | Substituted imidazole derivatives, compositions, and methods of use as PTPase inhibitors | TRANSTECH PHARMA INC | 2012-04-25 | — | — | CN | disclosed |
| CN-101374835-A | Substituted imidazole derivatives, compositions, and methods of use as PTPase inhibitors | TRANSTECH PHARMA INC (US) | 2009-02-25 | — | — | CN | disclosed |