Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | CA3 | P07451 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.37 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Diallyl Sulfide SCHEMBL1449847 | 1.00 | CA12 (0.50) | CA12CA1CA2GLACA3 | |
| Diallyl Sulfide SCHEMBL7949631 | 0.98 | CA12 (0.48) | CA12CA1CA2GLACA3 | |
| Diallyl Sulfide SCHEMBL1979798 | 0.98 | CA12 (0.48) | CA12CA1CA2GLACA3 | |
| Diallyldisulfide SCHEMBL28956854 | 0.86 | ALDH1A1 (0.50) | CA12CA1CA2GLACA3 | |
| Diallyldisulfide SCHEMBL668587 | 0.86 | ALDH1A1 (0.50) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL9283158 | 0.83 | CA12 (0.38) | CA12CA1CA2GLACA3 | |
| Biphenyl SCHEMBL890280 | 0.81 | ALOX5 (0.55) | ALOX5SMN1; SMN2L3MBTL1ALDH1A1HPGD | |
| Diallyl Sulfide SCHEMBL1341201 | 0.80 | ALOX5 (0.79) | ALOX5SMN1; SMN2L3MBTL1ALDH1A1HPGD | |
| Phenol SCHEMBL11597390 | 0.78 | CA12 (0.58) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL10569692 | 0.78 | CA12 (0.58) | CA12CA1CA2GLACA3 |
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-4131551-A | REACTION PRODUCT OF AN ALKYLPHENOL, FORMALDEHYDE, AND A POLYAMINE | STANDARD OIL COMPANY (US) | 1978-12-26 | — | — | US | disclosed |