Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 4/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | NAAA | Q02083 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TACR1 | P25103 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL24485906 | 0.83 | CA1 (0.46) | TSHRHTTSMN1; SMN2CA1CYP2C19 | |
| SCHEMBL27172785 | 0.83 | TSHR (0.45) | TSHRHTTSMN1; SMN2CA1TDP1 | |
| SCHEMBL26601450 | 0.81 | TSHR (0.52) | TSHRHTTSMN1; SMN2CA1CYP2C19 | |
| SCHEMBL1087301 | 0.81 | TSHR (0.52) | TSHRHTTCA1TDP1L3MBTL1 | |
| SCHEMBL8445001 | 0.79 | TSHR (0.45) | TSHRHTTSMN1; SMN2CA1CYP2C19 | |
| SCHEMBL11045891 | 0.79 | CA1 (0.58) | TSHRHTTCA1CYP2C19CA2 | |
| SCHEMBL30380288 | 0.79 | TSHR (0.48) | TSHRHTTSMN1; SMN2CA1CYP2C19 | |
| SCHEMBL9712801 | 0.78 | TSHR (0.52) | TSHRHTTSMN1; SMN2CA1CYP2C19 | |
| SCHEMBL812240 | 0.78 | TSHR (0.52) | TSHRCYP2C19TDP1L3MBTL1TACR1 | |
| SCHEMBL811581 | 0.78 | TSHR (0.52) | TSHRCYP2C19TDP1L3MBTL1TACR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5126437-A | ALDOPHOSPHAMIDE GLYCOSIDES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL ACTIVE COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 1992-06-30 | — | — | US | disclosed |
| EP-0345583-A2 | Aldophosphamide glycosides, process for their preparation and their use as pharmaceutical agents | Tietze, Lutz F., Prof. Dr. (DE) | 1989-12-13 | — | — | EP | disclosed |