Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MGAM | O43451 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SI | P14410 | 1/20 | 0.40 |
| ▸ | MGAM2 | Q2M2H8 | 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 | |
|---|---|---|---|---|
| SCHEMBL89183 | 0.93 | ALDH1A1 (0.54) | CYP1A2ALDH1A1ALOX15TDP1USP2 | |
| SCHEMBL52761 | 0.93 | ALDH1A1 (0.54) | CYP1A2ALDH1A1ALOX15TDP1USP2 | |
| SCHEMBL13412441 | 0.93 | ALDH1A1 (0.54) | CYP1A2ALDH1A1ALOX15TDP1USP2 | |
| SCHEMBL11323271 | 0.89 | ALDH1A1 (0.44) | CYP1A2ALDH1A1ALOX15TDP1USP2 | |
| SCHEMBL10473714 | 0.87 | RAB9A (0.48) | CYP1A2ALDH1A1ALOX15TDP1USP2 | |
| SCHEMBL10472514 | 0.82 | ALDH1A1 (0.49) | CYP1A2ALDH1A1ALOX15TDP1USP2 | |
| SCHEMBL25394683 | 0.82 | DGKA (0.56) | ALDH1A1TDP1 | |
| Heptane SCHEMBL30976344 | 0.82 | DGKA (0.56) | ALDH1A1TDP1 | |
| SCHEMBL28992190 | 0.82 | LMNA (0.62) | CYP1A2ALDH1A1ALOX15TDP1USP2 | |
| SCHEMBL7875391 | 0.81 | ALDH1A1 (0.51) | CYP1A2ALDH1A1ALOX15TDP1USP2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4259249-A | ONE STEP, FROM AN EPOXY ESTER AND TERTIARY AMINE IN AQUEOUS ORGANIC SOLVENT | THE PROCTER & GAMBLE COMPANY (US) | 1981-03-31 | — | — | US | disclosed |