Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 6/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | PRKCA | P17252 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Acetic Acid Butyl Ester SCHEMBL28312833 | 0.83 | ALDH1A1 (0.78) | ALDH1A1SMN1; SMN2LMNAPOLBATM | |
| Acetic Acid Butyl Ester SCHEMBL28037776 | 0.82 | — | — | |
| SCHEMBL28023892 | 0.82 | NAAA (0.44) | ALDH1A1LMNATSHRPRKCAMAPK1 | |
| Ethyl Acetate SCHEMBL4893968 | 0.81 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2LMNAPOLBATM | |
| Acetic Acid Butyl Ester SCHEMBL9273008 | 0.81 | ALDH1A1 (0.75) | ALDH1A1SMN1; SMN2LMNAPOLBATM | |
| Acetic Acid Butyl Ester SCHEMBL28149960 | 0.80 | ALDH1A1 (0.90) | ALDH1A1SMN1; SMN2LMNAPOLBATM | |
| Acetic Acid Butyl Ester SCHEMBL28984633 | 0.80 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2LMNAATMTSHR | |
| Acetic Acid Butyl Ester SCHEMBL14969 | 0.80 | — | — | |
| Acetic Acid Butyl Ester SCHEMBL28960923 | 0.80 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2LMNAATMTSHR | |
| Acetic Acid Butyl Ester SCHEMBL9131200 | 0.80 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2LMNAPOLBATM |
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 |
|---|---|---|---|---|---|---|---|
| CN-109082138-A | Pigment dispersion and coloured composition comprising the pigment dispersion | 山阳色素株式会社 | 2018-12-25 | — | — | CN | disclosed |
| US-4173606-A | Method of manufacturing shaped articles from crystalline acrylonitrile polymers and copolymers | CESKOSLOVENSKA AKADEMIE VED. (CS) | 1979-11-06 | — | — | US | disclosed |