Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA7 | P43166 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.36 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.36 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27671587 | 0.76 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6617548 | 0.76 | CA12 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL22432227 | 0.75 | PKM (0.40) | SMN1; SMN2MEN1KMT2AALDH1A1THRB | |
| SCHEMBL27771420 | 0.74 | CA12 (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28752704 | 0.74 | CA12 (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6621122 | 0.73 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27313872 | 0.73 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16621371 | 0.73 | ALDH1A1 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27605598 | 0.73 | CA12 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7224755 | 0.73 | CA12 (0.39) | CA12CA1CA2CA7CA9 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0683781-B1 | NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE | METABASIS THERAPEUTICS INC (US) | 2004-04-21 | — | — | EP | disclosed |
| US-5731432-A | Inhibitors of adenosine monophosphate deaminase | GENSIA SICOR INC. (US) | 1998-03-24 | — | — | US | disclosed |
| EP-0683781-A4 | NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE. | GENSIA PHARMA (US) | 1997-05-28 | — | — | EP | disclosed |
| EP-0683781-A1 | NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE | GENSIA PHARMACEUTICALS, INC. (US) | 1995-11-29 | — | — | EP | disclosed |
| WO-1994018200-A1 | NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE | GENSIA, INC. (US) | 1994-08-18 | — | — | WO | disclosed |