Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | AKR1C3 | P42330 | 9/20 | 0.53 |
| ▸ | AKR1C2 | P52895 | 9/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | PARP1 | P09874 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.50 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.50 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2835948 | 0.90 | PARP1 (0.55) | SMN1; SMN2ALDH1A1KDM4EPARP1NPC1 | |
| SCHEMBL383820 | 0.88 | ALDH1A1 (0.66) | SMN1; SMN2ALDH1A1AKR1C3AKR1C2KDM4E | |
| Benzene SCHEMBL29227606 | 0.86 | ALDH1A1 (0.63) | SMN1; SMN2ALDH1A1AKR1C3AKR1C2KDM4E | |
| SCHEMBL26768695 | 0.86 | SMN1; SMN2 (0.68) | SMN1; SMN2ALDH1A1AKR1C3AKR1C2KDM4E | |
| SCHEMBL30629168 | 0.86 | SMN1; SMN2 (0.68) | SMN1; SMN2ALDH1A1AKR1C3AKR1C2KDM4E | |
| SCHEMBL3277227 | 0.85 | ALDH1A1 (0.62) | SMN1; SMN2ALDH1A1KDM4EPARP1NPC1 | |
| SCHEMBL3037245 | 0.83 | ALDH1A1 (0.65) | SMN1; SMN2ALDH1A1AKR1C3AKR1C2KDM4E | |
| SCHEMBL15317994 | 0.81 | POLB (0.58) | ALDH1A1KDM4EPOLBTDP1L3MBTL1 | |
| SCHEMBL11780068 | 0.81 | POLB (0.58) | ALDH1A1KDM4EPOLBTDP1L3MBTL1 | |
| SCHEMBL1956889 | 0.81 | KDM4E (0.60) | SMN1; SMN2ALDH1A1AKR1C3AKR1C2KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1370562-A1 | THIENO[2,3-D]PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS | Warner-Lambert Company LLC (US) | 2003-12-17 | — | — | EP | disclosed |
| WO-2002064598-A1 | THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2002-08-22 | — | — | WO | disclosed |