Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.53 |
| ▸ | SHBG | P04278 | 1/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 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 | |
|---|---|---|---|---|
| SCHEMBL22500136 | 1.00 | ESR1 (0.53) | ESR1ESR2SHBGPTGS1PTGS2 | |
| SCHEMBL3187895 | 0.87 | ESR1 (0.71) | ESR1ESR2SHBGPTGS1PTGS2 | |
| SCHEMBL4055517 | 0.87 | ESR1 (0.71) | ESR1ESR2SHBGPTGS1PTGS2 | |
| SCHEMBL4063169 | 0.87 | ESR1 (0.71) | ESR1ESR2SHBGPTGS1PTGS2 | |
| SCHEMBL29636483 | 0.87 | ESR1 (0.71) | ESR1ESR2SHBGPTGS1PTGS2 | |
| SCHEMBL8351876 | 0.85 | ESR1 (0.69) | ESR1ESR2SHBGPTGS1PTGS2 | |
| SCHEMBL3194268 | 0.85 | CA1 (0.59) | ESR1ESR2SHBGPTGS2MAPT | |
| SCHEMBL6846484 | 0.82 | ESR1 (0.74) | ESR1ESR2SHBGMAPTCYP3A4 | |
| SCHEMBL30783352 | 0.82 | ESR1 (0.74) | ESR1ESR2SHBGMAPTCYP3A4 | |
| SCHEMBL4066304 | 0.82 | ESR1 (0.74) | ESR1ESR2SHBGMAPTCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113785023-B | Water-based ink composition for reversible thermochromic writing instrument, refill for refill and water-based ballpoint pen incorporating same | 株式会社百乐 | 2023-05-12 | — | — | CN | disclosed |