Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ECE1 | P42892 | 2/20 | 0.46 |
| ▸ | ITGB2 | P05107 | 2/20 | 0.43 |
| ▸ | ICAM1 | P05362 | 2/20 | 0.43 |
| ▸ | ITGAL | P20701 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 6/20 | 0.41 |
| ▸ | CA1 | P00915 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | GNPAT | O15228 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | GSTK1 | Q9Y2Q3 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11279926 | 0.85 | CA2 (0.55) | CA2GNPATCA4PTGS1GSTK1 | |
| SCHEMBL3049100 | 0.85 | MEN1 (0.49) | MEN1KMT2AECE1ITGB2ICAM1 | |
| SCHEMBL6576395 | 0.84 | KMT2A (0.47) | KMT2ACA2CA1GNPATPTGS1 | |
| SCHEMBL8750024 | 0.83 | NOD1 (0.51) | MEN1KMT2AECE1ITGB2ICAM1 | |
| SCHEMBL30645414 | 0.83 | ITGB2 (0.51) | MEN1KMT2AECE1ITGB2ICAM1 | |
| SCHEMBL8750021 | 0.83 | NOD1 (0.51) | MEN1KMT2AECE1ITGB2ICAM1 | |
| SCHEMBL25169531 | 0.81 | ECE1 (0.50) | MEN1KMT2AECE1ITGB2ICAM1 | |
| SCHEMBL21724473 | 0.81 | ECE1 (0.50) | MEN1KMT2AECE1ITGB2ICAM1 | |
| SCHEMBL21724474 | 0.81 | ECE1 (0.50) | MEN1KMT2AECE1ITGB2ICAM1 | |
| SCHEMBL10866490 | 0.81 | MEN1 (0.47) | MEN1KMT2AECE1ITGB2ICAM1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4339600-A | ENZYME INHIBITORS | E. R. SQUIBB & SONS, INC. (US) | 1982-07-13 | — | — | US | disclosed |
| US-4199512-A | Compounds for alleviating hypertension | E. R. SQUIBB & SONS, INC. (US) | 1980-04-22 | — | — | US | disclosed |
| US-4173704-A | HYPOTENSIVE AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1979-11-06 | — | — | US | disclosed |
| US-4140797-A | MERCAPTOACYL AMINO ACIDS, ENZYME INHIBITORS | E. R. SQUIBB & SONS, INC. (US) | 1979-02-20 | — | — | US | disclosed |
| US-4140786-A | ENZYME INHIBITORS | E. R. SQUIBB & SONS, INC. (US) | 1979-02-20 | — | — | US | disclosed |
| US-4112119-A | MERCAPTOACYL AMINOACIDS | E. R. SQUIBB & SONS, INC. (US) | 1978-09-05 | — | — | US | disclosed |
| US-4053651-A | MERCAPTOACYL AMINO ACIDS, ENZYME INHIBITORS | E. R. SQUIBB & SONS, INC. (US) | 1977-10-11 | — | — | US | disclosed |