Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.55 |
| ▸ | ACHE | P22303 | 2/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.46 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | IDH1 | O75874 | 1/20 | 0.44 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.43 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.43 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.43 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.43 |
| ▸ | RAD52 | P43351 | 1/20 | 0.42 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9709434 | 1.00 | CYP1A2 (0.55) | CYP1A2CYP2A6ACHEMTNR1AMTNR1B | |
| SCHEMBL5510892 | 0.78 | CYP1A2 (0.59) | CYP1A2CYP2A6ACHEMTNR1AMTNR1B | |
| SCHEMBL443271 | 0.78 | CYP1A2 (0.57) | CYP1A2CYP2A6ACHEMTNR1AMTNR1B | |
| SCHEMBL29869216 | 0.78 | CYP1A2 (0.57) | CYP1A2CYP2A6ACHEMTNR1AMTNR1B | |
| SCHEMBL9967888 | 0.78 | CYP1A2 (0.52) | CYP1A2CYP2A6ACHEMTNR1AMTNR1B | |
| SCHEMBL1806697 | 0.77 | CYP1A2 (0.55) | CYP1A2CYP2A6ACHEMTNR1AMTNR1B | |
| SCHEMBL7420941 | 0.77 | CYP1A2 (0.55) | CYP1A2CYP2A6ACHEMTNR1AMTNR1B | |
| SCHEMBL1806698 | 0.77 | CYP1A2 (0.55) | CYP1A2CYP2A6ACHEMTNR1AMTNR1B | |
| SCHEMBL1402628 | 0.77 | CYP1A2 (0.55) | CYP1A2CYP2A6ACHEMTNR1AMTNR1B | |
| SCHEMBL774076 | 0.77 | CYP1A2 (0.55) | CYP1A2CYP2A6MTNR1AMTNR1BHSD17B1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1992020227-A1 | SUBSTITUTED ORALLY EFFECTIVE ION CHELATORS RELATED TO DEFEROXAMINE | ORAL-D (US) | 1992-11-26 | — | — | WO | disclosed |
| US-5047421-A | Treating trivalent metal overload conditions in humans | ORAL-D (US) | 1991-09-10 | — | — | US | disclosed |
| US-5015664-A | Orally effective ion chelators related to deferoxamine | ORAL D (US) | 1991-05-14 | — | — | US | disclosed |
| US-4684482-A | DEFEROXAMINE DERIVATIVES | ORAL-D (L.P.) (US) | 1987-08-04 | — | — | US | disclosed |
| US-4671901-A | DIFEROXAMINE DERIVATIVES FOR REDUCTION OF METAL ION TUSSUE OV ERLOAD | ORAL-D (US) | 1987-06-09 | — | — | US | disclosed |
| EP-0171414-A1 | ORALLY EFFECTIVE ION CHELATORS RELATED TO DEFEROXAMINE. | ORAL D (US) | 1986-02-19 | — | — | EP | disclosed |
| WO-1985003290-A1 | ORALLY EFFECTIVE ION CHELATORS RELATED TO DEFEROXAMINE | ORAL-D (US) | 1985-08-01 | — | — | WO | disclosed |