Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | SPHK1 | Q9NYA1 | 11/20 | 0.37 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.35 |
| ▸ | LPL | P06858 | 1/20 | 0.35 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL1858459 | 0.77 | HTR3A (0.37) | ALDH1A1HTTMEN1CYP3A4CYP2C19 | |
| SCHEMBL23071529 | 0.77 | IDH1 (0.39) | ALDH1A1HTTMEN1CYP1A2CYP3A4 | |
| SCHEMBL335898 | 0.77 | ESR2 (0.52) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28343291 | 0.77 | ALDH1A1 (0.33) | ALDH1A1HTTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7133153 | 0.75 | MAOA (0.33) | ALDH1A1HTTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL11461120 | 0.73 | ALDH1A1 (0.33) | ALDH1A1HTTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL23071549 | 0.72 | IDH1 (0.40) | ALDH1A1HTTCYP1A2CYP3A4CYP2C9 | |
| Bicarbonate SCHEMBL28346273 | 0.72 | ESR2 (0.46) | ALDH1A1HTTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL4323763 | 0.72 | SPHK1 (0.61) | SPHK1SPHK2LPLLIPG | |
| SCHEMBL10338528 | 0.71 | SPHK1 (0.53) | ALDH1A1SPHK1SPHK2 |
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-1141094-A1 | CYCLOSILOXANE-BASED CROSS-LINKABLE MONOMERS, PRODUCTION THEREOF AND USE THEREOF IN POLYMERISABLE MATERIALS | 3M Espe AG (DE) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000042092-A1 | CYCLOSILOXANE-BASED CROSS-LINKABLE MONOMERS, PRODUCTION THEREOF AND USE THEREOF IN POLYMERISABLE MATERIALS | 3M ESPE AG (DE) | 2000-07-20 | — | — | WO | disclosed |