Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.68 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.68 |
| ▸ | SHBG | P04278 | 1/20 | 0.68 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.67 |
| ▸ | MAOB | P27338 | 2/20 | 0.66 |
| ▸ | NPC1 | O15118 | 4/20 | 0.58 |
| ▸ | RAB9A | P51151 | 4/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.58 |
| ▸ | GAPDH | P04406 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | TNKS | O95271 | 1/20 | 0.58 |
| ▸ | BCHE | P06276 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | ACHE | P22303 | 1/20 | 0.58 |
| ▸ | CA1 | P00915 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL5032926 | 0.98 | ESR1 (0.70) | ESR1ESR2SHBGALOX5MAOB | |
| SCHEMBL4659168 | 0.90 | MAOB (0.78) | ESR1ESR2SHBGALOX5MAOB | |
| SCHEMBL5768216 | 0.86 | MAOB (0.72) | ALOX5MAOBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5432580 | 0.84 | ALOX5 (0.66) | ESR1ESR2SHBGALOX5MAOB | |
| Stemofuran A SCHEMBL28792809 | 0.83 | TYR (0.68) | ESR1ESR2SHBGALOX5MAOB | |
| Stemofuran A SCHEMBL29742935 | 0.83 | TYR (0.68) | ESR1ESR2SHBGALOX5MAOB | |
| SCHEMBL731363 | 0.82 | MAOB (0.71) | ALOX5MAOBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL31105656 | 0.82 | MAOB (0.71) | ALOX5MAOBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL24871311 | 0.81 | MAOB (0.96) | ALOX5MAOBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL29939110 | 0.81 | MAOB (0.66) | ALOX5MAOBNPC1RAB9ASMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7358364-B2 | treatment of diabetes and/or cancer; useful in the treatment of syndrome X; capable of inhibiting Protein tyrosine phosphatase | THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) | 2008-04-15 | — | — | US | disclosed |