Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP3 | P08254 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | ANPEP | P15144 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7803203 | 0.88 | POLB (0.51) | POLBCA1KMT2ACYP2D6CYP2C9 | |
| SCHEMBL13073722 | 0.86 | KMT2A (0.53) | POLBKMT2ACYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7800969 | 0.86 | MMP2 (0.55) | POLBCA1CYP2C9CYP2C19CA2 | |
| SCHEMBL7793404 | 0.86 | F10 (0.48) | POLBCA1KMT2ACYP2D6CYP2C9 | |
| SCHEMBL7793421 | 0.82 | POLB (0.43) | POLBCA1KMT2ACYP2D6CYP2C9 | |
| SCHEMBL7793435 | 0.81 | CA12 (0.52) | POLBCA1KMT2ACYP2D6CYP2C9 | |
| SCHEMBL27744298 | 0.80 | POLB (0.45) | POLBCA1KMT2ACYP2D6CYP2C9 | |
| SCHEMBL7799262 | 0.79 | POLB (0.52) | POLBKMT2ACYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7798914 | 0.78 | POLB (0.48) | POLBKMT2ACYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7793390 | 0.77 | KMT2A (0.57) | KMT2ACA2CA12CA9 |
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-1143960-A2 | CYSTINE DERIVATIVES AS THERAPEUTIC AGENTS FOR MATRIX METALLOPROTEASE RELATED DISEASES | Roche Diagnostics GmbH (DE) | 2001-10-17 | — | — | EP | disclosed |
| WO-2000027378-A2 | CYSTINE DERIVATIVES AS THERAPEUTIC AGENTS FOR MATRIX METALLOPROTEASE RELATED DISEASES | ROCHE DIAGNOSTICS GMBH (DE) | 2000-05-18 | — | — | WO | disclosed |