Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL6259138 | 0.92 | SRC (0.48) | ALDH1A1CYP2D6TSHRLMNAKMT2A | |
| SCHEMBL6474542 | 0.85 | ADORA2B (0.44) | ALDH1A1TSHRKMT2AADORA2BPKM | |
| SCHEMBL6473393 | 0.83 | TSHR (0.47) | ALDH1A1TSHRLMNAKMT2AHTT | |
| SCHEMBL6470623 | 0.83 | ADORA2B (0.42) | TSHRLMNAKMT2AADORA2BPKM | |
| SCHEMBL6471284 | 0.83 | MEN1 (0.46) | ALDH1A1TSHRLMNAKMT2AHTT | |
| SCHEMBL6470949 | 0.82 | POLB (0.42) | ALDH1A1TSHRLMNAKMT2AHTT | |
| SCHEMBL6471776 | 0.82 | TSHR (0.45) | ALDH1A1TSHRLMNAKMT2AHTT | |
| SCHEMBL6472082 | 0.82 | ERCC5 (0.41) | ALDH1A1TSHRLMNAKMT2AHTT | |
| SCHEMBL6476984 | 0.82 | HTR3E (0.41) | ALDH1A1GAACYP2D6TSHRCYP2C19 | |
| SCHEMBL7023571 | 0.81 | ERCC5 (0.41) | ALDH1A1TSHRLMNAKMT2AHTT |
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-1530475-A2 | PHARMACEUTICAL COMPOSITIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 | Warner-Lambert Company LLC (US) | 2005-05-18 | — | — | EP | disclosed |
| WO-2004006931-A2 | PHARMACEUTICAL COMPOSTIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 | WARNER-LAMBERT COMPANY LLC (US) | 2004-01-22 | — | — | WO | disclosed |