Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 4/20 | 0.54 |
| ▸ | MMP2 | P08253 | 4/20 | 0.54 |
| ▸ | MMP9 | P14780 | 4/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | STAT1 | P42224 | 1/20 | 0.53 |
| ▸ | EGFR | P00533 | 1/20 | 0.52 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 1/20 | 0.52 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.52 |
| ▸ | KDM1A | O60341 | 1/20 | 0.51 |
| ▸ | BCHE | P06276 | 9/20 | 0.50 |
| ▸ | ACHE | P22303 | 9/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.50 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL8197536 | 1.00 | MMP1 (0.54) | MMP1MMP2MMP9MEN1NPC1 | |
| SCHEMBL8205385 | 0.92 | MMP1 (0.46) | MMP1MMP2MMP9MEN1NPC1 | |
| SCHEMBL8205382 | 0.92 | MMP1 (0.46) | MMP1MMP2MMP9MEN1NPC1 | |
| SCHEMBL8207696 | 0.89 | MMP1 (0.57) | MMP1MMP2MMP9MEN1NPC1 | |
| SCHEMBL8207694 | 0.89 | MMP1 (0.57) | MMP1MMP2MMP9MEN1NPC1 | |
| SCHEMBL8206977 | 0.89 | DRD2 (0.48) | MMP1MMP2MMP9MEN1NPC1 | |
| SCHEMBL8207103 | 0.89 | MMP1 (0.60) | MMP1MMP2MMP9MEN1NPC1 | |
| SCHEMBL8206980 | 0.89 | DRD2 (0.48) | MMP1MMP2MMP9MEN1NPC1 | |
| SCHEMBL8207096 | 0.89 | MMP1 (0.60) | MMP1MMP2MMP9MEN1NPC1 | |
| SCHEMBL8204458 | 0.88 | MMP1 (0.56) | MMP1MMP2MMP9MEN1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000007993-A1 | SUBSTITUTED ISOQUINOLEINES AND THEIR USE AS ANTICONVULSIVANTS | SMITHKLINE BEECHAM PLC (GB) | 2000-02-17 | — | — | WO | claimed |
| WO-2000007993-A1 | SUBSTITUTED ISOQUINOLEINES AND THEIR USE AS ANTICONVULSIVANTS | SMITHKLINE BEECHAM PLC (GB) | 2000-02-17 | — | — | WO | disclosed |