Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 6/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.53 |
| ▸ | CXCR1 | P25024 | 3/20 | 0.53 |
| ▸ | CXCR2 | P25025 | 3/20 | 0.53 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.53 |
| ▸ | ALB | P02768 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 1/20 | 0.53 |
| ▸ | RARB | P10826 | 1/20 | 0.53 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | HTR2A | P28223 | 1/20 | 0.53 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.53 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.53 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL10396708 | 1.00 | PTGS2 (0.53) | PTGS2PTGS1CXCR1CXCR2ALOX5 | |
| SCHEMBL5981330 | 0.88 | ALDH1A1 (0.41) | LMNAESR1TSHR | |
| SCHEMBL12327022 | 0.85 | EPHX1 (0.58) | PTGS2PTGS1CXCR1CXCR2ALOX5 | |
| SCHEMBL17129091 | 0.85 | ADRB3 (0.42) | PTGS2PTGS1CXCR1CXCR2ALOX5 | |
| SCHEMBL15698049 | 0.80 | PTGS2 (0.57) | PTGS2PTGS1CXCR1CXCR2ALOX5 | |
| SCHEMBL13034095 | 0.79 | ALDH1A1 (0.50) | TSHRCHRM1 | |
| SCHEMBL3504492 | 0.79 | ALDH1A1 (0.50) | TSHRCHRM1 | |
| SCHEMBL21168702 | 0.79 | ALDH1A1 (0.60) | PTGS2PTGS1CXCR1CXCR2ALOX5 | |
| SCHEMBL13034101 | 0.79 | ALDH1A1 (0.50) | TSHRCHRM1 | |
| SCHEMBL11138031 | 0.77 | PTGS1 (0.58) | PTGS2PTGS1CXCR1CXCR2ALOX5 |
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 |
|---|---|---|---|---|---|---|---|
| US-4980291-A | TRANSESTERIFICATION IN PRESENCE OF FREE OR IMMOBILIZED PSEUDOMONOS FLUORESCENS OR HYDROLASES | ISTITUTO GUIDO DONEGANI S.P.A. (IT) | 1990-12-25 | — | — | US | disclosed |