Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 2/20 | 0.55 |
| ▸ | MMP9 | P14780 | 1/20 | 0.55 |
| ▸ | MMP8 | P22894 | 1/20 | 0.55 |
| ▸ | MMP1 | P03956 | 1/20 | 0.55 |
| ▸ | LTA4H | P09960 | 1/20 | 0.53 |
| ▸ | MME | P08473 | 1/20 | 0.52 |
| ▸ | CTSC | P53634 | 2/20 | 0.51 |
| ▸ | CCKBR | P32239 | 2/20 | 0.50 |
| ▸ | GHSR | Q92847 | 1/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.50 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.50 |
| ▸ | CCKAR | P32238 | 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 | |
|---|---|---|---|---|
| SCHEMBL1353004 | 0.93 | MMP1 (0.57) | MMP2MMP9MMP8MMP1CTSC | |
| SCHEMBL9057338 | 0.93 | KDM4E (0.55) | LTA4HCTSCGHSROPRM1OPRD1 | |
| SCHEMBL2193237 | 0.89 | GHSR (0.61) | MMP2MMP9MMP8MMP1CTSC | |
| SCHEMBL8397051 | 0.88 | KDM4E (0.60) | LTA4HCTSCOPRM1OPRD1 | |
| SCHEMBL2192888 | 0.88 | KDM4E (0.60) | LTA4HCTSCOPRM1OPRD1 | |
| SCHEMBL8397046 | 0.88 | KDM4E (0.60) | LTA4HCTSCOPRM1OPRD1 | |
| SCHEMBL1652435 | 0.88 | ACE (0.53) | CTSCGHSR | |
| SCHEMBL8892785 | 0.87 | CTSC (0.59) | LTA4HCTSCOPRM1OPRD1 | |
| SCHEMBL1352773 | 0.85 | OPRM1 (0.59) | OPRM1OPRD1 | |
| SCHEMBL16468637 | 0.85 | GHSR (0.58) | CTSCGHSROPRM1OPRD1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7927613-B2 | Pharmaceutical co-crystal compositions | UNIVERSITY OF SOUTH FLORIDA (US) | 2011-04-19 | — | — | US | disclosed |
| US-7790905-B2 | Pharmaceutical propylene glycol solvate compositions | MCNEIL-PPC, INC. (US) | 2010-09-07 | — | — | US | disclosed |