Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.42 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.41 |
| ▸ | BAD | Q92934 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8635047 | 0.91 | HPGD (0.57) | ESR1ESR2CES2CES1ALDH1A1 | |
| SCHEMBL760190 | 0.78 | PAX8 (0.47) | ESR1ESR2CES2PAX8CTSL | |
| SCHEMBL760191 | 0.78 | PAX8 (0.47) | ESR1ESR2CES2PAX8CTSL | |
| SCHEMBL16315748 | 0.78 | PAX8 (0.47) | ESR1ESR2CES2PAX8CTSL | |
| SCHEMBL20385378 | 0.74 | KMT2A (0.60) | CES2CES1ALDH1A1HPGDNPC1 | |
| SCHEMBL28341134 | 0.74 | HPGD (0.68) | ESR1ESR2CES2CES1ALDH1A1 | |
| SCHEMBL5072943 | 0.74 | ESR2 (0.56) | ESR1ESR2CA1CA2ALDH1A1 | |
| SCHEMBL14395844 | 0.74 | LMNA (0.55) | CES2CES1CA1CA2ALDH1A1 | |
| SCHEMBL561916 | 0.74 | CES2 (0.44) | ESR1ESR2CES2CES1CA1 | |
| SCHEMBL103112 | 0.74 | KDM1A (0.50) | CES2CES1GFERNPC1RAB9A |
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-108355709-B | Application of bismuth trifluoromethanesulfonate as Beckmann rearrangement reaction catalyst | 嘉兴学院 | 2020-12-08 | — | — | CN | disclosed |
| US-4176194-A | ANTIINFLAMMATORY AGENTS; ANALGESICS | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1979-11-27 | — | — | US | disclosed |