Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.66 |
| ▸ | ESR1 | P03372 | 3/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.66 |
| ▸ | TSHR | P16473 | 2/20 | 0.66 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.66 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.66 |
| ▸ | KDR | P35968 | 1/20 | 0.66 |
| ▸ | LMNA | P02545 | 4/20 | 0.62 |
| ▸ | HPGD | P15428 | 4/20 | 0.60 |
| ▸ | CA1 | P00915 | 2/20 | 0.59 |
| ▸ | CA2 | P00918 | 2/20 | 0.59 |
| ▸ | CA12 | O43570 | 1/20 | 0.59 |
| ▸ | CA7 | P43166 | 1/20 | 0.59 |
| ▸ | CA9 | Q16790 | 1/20 | 0.59 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.59 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
| ▸ | RAB9A | P51151 | 3/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL680463 | 0.94 | ALDH1A1 (0.72) | TDP1ESR1ALDH1A1TSHRCHRM1 | |
| Propylparaben SCHEMBL8511003 | 0.94 | ESR1 (0.78) | TDP1ESR1ALDH1A1TSHRCHRM1 | |
| SCHEMBL5167141 | 0.93 | ESR1 (0.75) | TDP1ESR1ALDH1A1TSHRCHRM1 | |
| SCHEMBL4444431 | 0.91 | CA1 (0.70) | TDP1ESR1TSHRLMNAHPGD | |
| SCHEMBL10537396 | 0.91 | CA1 (0.70) | TDP1ESR1TSHRLMNAHPGD | |
| SCHEMBL9418844 | 0.89 | ALDH1A1 (0.54) | TDP1ESR1ALDH1A1TSHRCHRM1 | |
| SCHEMBL20991487 | 0.89 | CA12 (0.59) | TDP1ESR1ALDH1A1TSHRCHRM1 | |
| Butylparaben SCHEMBL23302687 | 0.88 | ESR1 (0.75) | TDP1ESR1ALDH1A1TSHRCHRM1 | |
| Propylparaben SCHEMBL6130230 | 0.88 | ESR1 (0.86) | TDP1ESR1ALDH1A1TSHRCHRM1 | |
| Propylparaben SCHEMBL1078675 | 0.88 | ESR1 (0.86) | TDP1ESR1ALDH1A1TSHRCHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0419874-A2 | Composition of polybutene-1 and process for preparing same | IDEMITSU PETROCHEMICAL COMPANY LIMITED (JP) | 1991-04-03 | — | — | EP | disclosed |