Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 4/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.41 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.41 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.41 |
| ▸ | ALB | P02768 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | RARB | P10826 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.41 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.41 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 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 | |
|---|---|---|---|---|
| Water SCHEMBL27361343 | 0.97 | PTGS1 (0.42) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| SCHEMBL59521 | 0.97 | PTGS1 (0.42) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| SCHEMBL28099383 | 0.95 | PTGS1 (0.41) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| SCHEMBL27399339 | 0.95 | PTGS1 (0.41) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| Magnesium Chloride Anhydrous SCHEMBL27510296 | 0.89 | FAAH (0.38) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| SCHEMBL27509231 | 0.89 | PTGS1 (0.37) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| SCHEMBL9864763 | 0.89 | GPR84 (0.42) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| SCHEMBL6599296 | 0.84 | MEN1 (0.44) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| SCHEMBL5174938 | 0.81 | PTGS1 (0.54) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| SCHEMBL1028220 | 0.78 | TAAR1 (0.33) | ESR1MEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1934071-A | Carboxamide derivatives useful as adrenergic receptors | PFIZER LTD (US) | 2007-03-21 | — | — | CN | claimed |
| CN-1934071-A | Carboxamide derivatives useful as adrenergic receptors | PFIZER LTD (US) | 2007-03-21 | — | — | CN | disclosed |
| CN-1068305-C | Therapeutic agent | BOOTS CO PLC (GB) | 2001-07-11 | — | — | CN | disclosed |
| CN-1068734-A | THERAPEUTIC AGENT | BOOTS CO PLC (GB) | 1993-02-10 | — | — | CN | disclosed |