Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 13/20 | 0.55 |
| ▸ | MMP13 | P45452 | 6/20 | 0.55 |
| ▸ | MMP2 | P08253 | 11/20 | 0.54 |
| ▸ | MMP3 | P08254 | 10/20 | 0.54 |
| ▸ | PDE4A | P27815 | 5/20 | 0.51 |
| ▸ | PDE4B | Q07343 | 5/20 | 0.51 |
| ▸ | PDE4C | Q08493 | 5/20 | 0.51 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.51 |
| ▸ | MMP9 | P14780 | 5/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | MMP8 | P22894 | 1/20 | 0.47 |
| ▸ | ADAM17 | P78536 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8713408 | 0.81 | MMP1 (0.51) | MMP1MMP13MMP2MMP3PDE4A | |
| SCHEMBL7212140 | 0.80 | MMP1 (0.65) | MMP1MMP13MMP2MMP3PDE4A | |
| SCHEMBL7207785 | 0.79 | PDE4A (0.77) | MMP1MMP13MMP2MMP3PDE4A | |
| SCHEMBL7207685 | 0.78 | MMP13 (0.51) | MMP1MMP13MMP2MMP3MMP9 | |
| SCHEMBL7207044 | 0.76 | MMP1 (0.76) | MMP1MMP13MMP2MMP3PDE4A | |
| SCHEMBL7207763 | 0.76 | MMP1 (0.49) | MMP1MMP13MMP2MMP3PDE4A | |
| SCHEMBL17754960 | 0.75 | RAB9A (0.51) | NPC1ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL7212083 | 0.75 | MMP13 (0.49) | MMP1MMP13MMP2MMP3PDE4A | |
| SCHEMBL8714771 | 0.75 | MMP13 (0.73) | MMP1MMP13MMP2MMP3PDE4A | |
| SCHEMBL7207026 | 0.74 | MMP13 (0.68) | MMP1MMP13MMP2MMP3MMP9 |
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-0939628-B1 | THIOL SULFONE METALLOPROTEASE INHIBITORS | MONSANTO CO (US) | 2003-03-05 | — | — | EP | disclosed |
| US-6013649-A | BOND DISORDERS; AUTOIMMUNE DISEASES; ANTITUMOR AGENTS | MONSANTO COMPANY (US) | 2000-01-11 | — | — | US | disclosed |
| EP-0939628-A4 | THIOL SULFONE METALLOPROTEASE INHIBITORS | MONSANTO CO (US) | 1999-12-22 | — | — | EP | disclosed |
| EP-0939628-A1 | THIOL SULFONE METALLOPROTEASE INHIBITORS | MONSANTO COMPANY (US) | 1999-09-08 | — | — | EP | disclosed |
| WO-1998003164-A1 | THIOL SULFONE METALLOPROTEASE INHIBITORS | MONSANTO COMPANY (US) | 1998-01-29 | — | — | WO | disclosed |