Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.44 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.44 |
| ▸ | SNCA | P37840 | 1/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.43 |
| ▸ | RHOA | P61586 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4564017 | 0.88 | CYP3A4 (0.51) | CYP3A4KMT2ATDP1ALDH1A1TSHR | |
| SCHEMBL27362136 | 0.88 | CYP3A4 (0.51) | CYP3A4ALDH1A1TSHRHSD17B10CYP4F2 | |
| SCHEMBL157805 | 0.87 | CYP3A4 (0.61) | CYP3A4KMT2ATDP1MEN1ALDH1A1 | |
| SCHEMBL16372021 | 0.87 | CYP3A4 (0.61) | CYP3A4KMT2ATDP1MEN1ALDH1A1 | |
| SCHEMBL3293258 | 0.86 | CYP4F2 (0.61) | CYP3A4KMT2ATDP1MEN1L3MBTL1 | |
| SCHEMBL30564418 | 0.86 | CYP3A4 (0.50) | CYP3A4KMT2ATDP1ALDH1A1TSHR | |
| SCHEMBL4980546 | 0.86 | CYP3A4 (0.50) | CYP3A4KMT2ATDP1MEN1ALDH1A1 | |
| SCHEMBL1800154 | 0.86 | CYP3A4 (0.50) | CYP3A4KMT2ATDP1ALDH1A1TSHR | |
| SCHEMBL3264445 | 0.86 | CYP3A4 (0.50) | CYP3A4KMT2ATDP1ALDH1A1TSHR | |
| Benzene SCHEMBL29140663 | 0.85 | CYP3A4 (0.59) | CYP3A4KMT2ATDP1MEN1ALDH1A1 |
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 4 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 |
| 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 |