Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CFTR | P13569 | 1/20 | 0.35 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 2/20 | 0.32 |
| ▸ | MGLL | Q99685 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.32 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.32 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | IDH1 | O75874 | 1/20 | 0.31 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL813727 | 0.84 | — | — | |
| SCHEMBL4576256 | 0.82 | MAOA (0.36) | ALDH1A1MGLLPKMATMMAPK1 | |
| Hydrochloric Acid SCHEMBL1164005 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL1539687 | 0.82 | — | — | |
| Fluoride SCHEMBL1130869 | 0.82 | — | — | |
| Bromide SCHEMBL1539610 | 0.82 | — | — | |
| Methane SCHEMBL16321051 | 0.80 | — | — | |
| Biphenyl SCHEMBL11839356 | 0.76 | CYP1A2 (0.37) | ALDH1A1FAAHMGLLHTTHSP90AA1 | |
| Biphenyl SCHEMBL9066516 | 0.75 | ALDH1A1 (0.38) | ALDH1A1CFTRGOPCFAAHMGLL | |
| SCHEMBL28189743 | 0.75 | PNMT (0.36) | ALDH1A1CYP1A2LMNACYP3A4 |
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-0316155-B1 | A transition-metal compound having a substituted, bridged bis-cyclopentadienyl ligand | CHISSO CORP (JP) | 1996-02-07 | — | — | EP | disclosed |
| EP-0316155-A2 | A transition-metal compound having a substituted, bridged bis-cyclopentadienyl ligand | Chisso Corporation (JP) | 1989-05-17 | — | — | EP | disclosed |