Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP12 | P39900 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | NPC1 | O15118 | 5/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 3/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | GMNN | O75496 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | TUBB | P07437 | 1/20 | 0.33 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL896715 | 0.78 | F2 (0.47) | ALDH1A1LMNAHTTTP53CYP1A2 | |
| SCHEMBL9138103 | 0.77 | ALDH1A1 (0.56) | ALDH1A1NPC1LMNAHTTTP53 | |
| SCHEMBL13715730 | 0.75 | NPC1 (0.54) | ALDH1A1NPC1LMNAHTTTP53 | |
| SCHEMBL9756827 | 0.72 | ALDH1A1 (0.41) | ALDH1A1NPC1LMNAHTTMAPT | |
| SCHEMBL9756826 | 0.71 | RAB9A (0.60) | ALDH1A1NPC1LMNAHTTTP53 | |
| SCHEMBL1480730 | 0.71 | KDM4E (0.39) | ALDH1A1NPC1LMNAHTTABL1 | |
| SCHEMBL20894431 | 0.71 | NPC1 (0.58) | ALDH1A1NPC1LMNANPSR1TP53 | |
| SCHEMBL28007813 | 0.70 | SMN1; SMN2 (0.51) | ALDH1A1NPC1HTTTP53MAPT | |
| SCHEMBL9088000 | 0.70 | — | — | |
| SCHEMBL15559316 | 0.69 | MGLL (0.46) | ALDH1A1NPC1NPSR1MAPTMAPK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1636212-B1 | CYCLOALKYLSULFANYL SUBSTITUTED BENZO¬B|THIOPHENES AS THERAPEUTIC AGENTS | WARNER LAMBERT CO (US) | 2007-06-27 | — | — | EP | claimed |