Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 7/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.41 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | GGT1 | P19440 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7101896 | 0.83 | ALDH1A1 (0.47) | ALDH1A1ALOX15TSHRTDP1L3MBTL1 | |
| SCHEMBL2908710 | 0.82 | TSHR (0.48) | ALDH1A1TSHRL3MBTL1MAPK1LMNA | |
| SCHEMBL332835 | 0.79 | LMNA (0.53) | ALDH1A1TSHRTDP1TP53MAPK1 | |
| Alcohol SCHEMBL8193854 | 0.79 | ALDH1A1 (0.47) | ALDH1A1ALOX15TSHRTDP1L3MBTL1 | |
| SCHEMBL27587466 | 0.78 | ALDH1A1 (0.46) | ALDH1A1ALOX15TSHRTDP1L3MBTL1 | |
| SCHEMBL2359279 | 0.77 | ALDH1A1 (0.58) | ALDH1A1ALOX15TSHRTDP1CYP3A4 | |
| SCHEMBL27412731 | 0.76 | ALDH1A1 (0.52) | ALDH1A1ALOX15TSHRTDP1AKR1C3 | |
| Phthalic Acid SCHEMBL27458631 | 0.76 | ALDH1A1 (0.78) | ALDH1A1ALOX15TDP1AKR1C3KDM4E | |
| SCHEMBL220576 | 0.76 | ALDH1A1 (0.56) | ALDH1A1ALOX15TSHRTDP1CYP3A4 | |
| Diethyl Phthalate SCHEMBL9132522 | 0.76 | TSHR (0.84) | ALDH1A1ALOX15TSHRTDP1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4160020-A | CELLULOSE ESTERS, CELLULOSE ETHERS | ALZA CORPORATION (US) | 1979-07-03 | — | — | US | disclosed |
| US-4138013-A | Enteric capsules | PARKE, DAVIS & COMPANY (US) | 1979-02-06 | — | — | US | disclosed |