Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 8/20 | 0.42 |
| ▸ | RAB9A | P51151 | 7/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.38 |
| ▸ | RELA | Q04206 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL123612 | 0.81 | ALDH1A1 (0.70) | ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL25986916 | 0.77 | ALDH1A1 (0.52) | ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7998600 | 0.73 | CA2 (0.49) | ALDH1A1SMN1; SMN2GAACYP2D6CA12 | |
| SCHEMBL6140666 | 0.71 | ALDH1A1 (0.54) | ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5848182 | 0.70 | ALDH1A1 (0.48) | ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL11842736 | 0.69 | ALDH1A1 (0.56) | ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL955977 | 0.69 | ALDH1A1 (0.64) | ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3139223 | 0.68 | CA2 (0.47) | ALDH1A1MAPK1GAACYP3A4CA12 | |
| SCHEMBL9647380 | 0.68 | ALDH1A1 (0.56) | ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2 | |
| Biphenyl SCHEMBL8520232 | 0.68 | CA2 (0.53) | ALDH1A1SMN1; SMN2GAACA12CA1 |
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-5976348-A | In situ remediation of soils containing organic contaminants using the electromigration of peroxysulfate ions | TENNESSEE VALLEY AUTHORITY, UNITED STATES CORPORATION (US) | 1999-11-02 | — | — | US | disclosed |