Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 10/20 | 0.42 |
| ▸ | MMP9 | P14780 | 10/20 | 0.42 |
| ▸ | MMP3 | P08254 | 8/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9349379 | 0.88 | CYP1B1 (0.46) | CYP1B1MMP1MMP9MMP3 | |
| SCHEMBL7329953 | 0.88 | MMP1 (0.50) | POLBKDM4EMEN1KMT2AMMP1 | |
| SCHEMBL7323303 | 0.87 | MMP9 (0.52) | POLBMEN1KMT2AMMP1MMP9 | |
| SCHEMBL7323291 | 0.87 | MMP9 (0.52) | POLBMEN1KMT2AMMP1MMP9 | |
| SCHEMBL7323279 | 0.87 | MMP9 (0.52) | POLBMEN1KMT2AMMP1MMP9 | |
| SCHEMBL7329042 | 0.81 | MMP1 (0.47) | CYP1B1MMP1MMP9MMP3 | |
| SCHEMBL6417587 | 0.76 | MMP1 (0.47) | CYP1B1MMP1MMP9MMP3 | |
| SCHEMBL7356722 | 0.76 | ECE1 (0.49) | — | |
| SCHEMBL23752622 | 0.75 | KEAP1 (0.71) | CYP1B1ALDH1A1POLBKDM4EMEN1 | |
| SCHEMBL7322384 | 0.74 | MMP1 (0.54) | MMP1MMP9MMP3 |
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-0612324-A1 | PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY | SMITHKLINE BEECHAM PLC (GB) | 1994-08-31 | — | — | EP | disclosed |
| WO-1993009136-A1 | PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY | SMITHKLINE BEECHAM PLC (GB) | 1993-05-13 | — | — | WO | disclosed |