Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | STAT3 | P40763 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4765503 | 0.79 | ALDH1A1 (0.46) | ALDH1A1L3MBTL1TSHRTDP1HRH4 | |
| SCHEMBL4767007 | 0.69 | ALDH1A1 (0.47) | ALDH1A1L3MBTL1TSHRTDP1HTT | |
| Phenol SCHEMBL28177872 | 0.68 | TSHR (0.56) | L3MBTL1TSHRTDP1HRH4HRH3 | |
| SCHEMBL20661103 | 0.68 | ALDH1A1 (0.49) | ALDH1A1L3MBTL1HRH4HRH3ADORA3 | |
| SCHEMBL26580967 | 0.67 | TSHR (0.56) | ALDH1A1L3MBTL1TSHRTDP1CA1 | |
| SCHEMBL1066576 | 0.67 | TSHR (0.67) | ALDH1A1L3MBTL1TSHRTDP1HRH4 | |
| SCHEMBL11043788 | 0.67 | ALDH1A1 (0.45) | ALDH1A1L3MBTL1TSHRTDP1HRH4 | |
| SCHEMBL6744772 | 0.67 | ESR1 (0.54) | L3MBTL1TSHRTDP1CYP1A2CYP2C19 | |
| SCHEMBL1837574 | 0.67 | ESR1 (0.54) | L3MBTL1TSHRTDP1CYP1A2CYP2C19 | |
| Water SCHEMBL28780406 | 0.66 | TSHR (0.64) | ALDH1A1L3MBTL1TSHRTDP1HRH4 |
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-100457756-C | Imidazo-pyrimidines and triazolo-pyrimidines: benzodiazepine receptor ligands | NEUROGEN CORP (US) | 2009-02-04 | — | — | CN | disclosed |
| CN-1826345-A | Imidazo-pyrimidines and triazolo-pyrimidines: benzodiazepine receptor ligands | NEUROGEN CORP A CORP OF THE ST (US) | 2006-08-30 | — | — | CN | disclosed |