Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CES2 | O00748 | 4/20 | 0.46 |
| ▸ | CES1 | P23141 | 4/20 | 0.46 |
| ▸ | FAAH | O00519 | 3/20 | 0.45 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | GPR84 | Q9NQS5 | 6/20 | 0.42 |
| ▸ | PPARG | P37231 | 6/20 | 0.42 |
| ▸ | PPARD | Q03181 | 6/20 | 0.42 |
| ▸ | PPARA | Q07869 | 6/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.42 |
| ▸ | TLR2 | O60603 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | FABP4 | P15090 | 2/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.42 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.42 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8551408 | 1.00 | TSHR (0.46) | TSHRALDH1A1CES2CES1FAAH | |
| SCHEMBL10037091 | 0.85 | FAAH (0.39) | TSHRALDH1A1CES2CES1FAAH | |
| SCHEMBL3401724 | 0.81 | CES2 (0.56) | TSHRALDH1A1CES2CES1AKR1B1 | |
| SCHEMBL5689910 | 0.78 | CES2 (0.58) | TSHRALDH1A1CES2CES1GPR84 | |
| SCHEMBL1527621 | 0.78 | CES2 (0.58) | TSHRALDH1A1CES2CES1GPR84 | |
| SCHEMBL11239831 | 0.78 | CES2 (0.58) | TSHRALDH1A1CES2CES1GPR84 | |
| SCHEMBL11132120 | 0.77 | TSHR (0.52) | TSHRALDH1A1CES2CES1AKR1B1 | |
| Ammonia Solution, Strong SCHEMBL11778398 | 0.75 | CES2 (0.55) | TSHRALDH1A1CES2CES1GPR84 | |
| Ammonia Solution, Strong SCHEMBL179727 | 0.75 | CES2 (0.55) | TSHRALDH1A1CES2CES1GPR84 | |
| SCHEMBL10349515 | 0.75 | CES2 (0.55) | TSHRALDH1A1CES2CES1GPR84 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0743938-B1 | SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | SEARLE & CO (US) | 1999-04-21 | — | — | EP | disclosed |
| US-5736579-A | ANTIARTHRITIC, ANTIPYRETIC AND ANALGESIC AGENTS | G.D. SEARLE & CO. (US) | 1998-04-07 | — | — | US | disclosed |
| US-5672626-A | ANTIINFLAMMATORY AGENT TREATING ARTHRITIS, PAIN, FEVER; ANTIPYRETICS | G. D. SEARLE & CO. (US) | 1997-09-30 | — | — | US | disclosed |
| US-5672627-A | ANTIINFLAMMATORY AGENT TREATING ARTHRITIS, PAIN, FEVER; ANTIPYRETICS | G.D. SEARLE & CO. (US) | 1997-09-30 | — | — | US | disclosed |
| US-5670510-A | SELECTIVELY INHIBIT CYCLOOXYGENASE II, ANTIARTHRITIC | G. D. SEARLE & CO. (US) | 1997-09-23 | — | — | US | disclosed |
| EP-0743938-A1 | SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-11-27 | — | — | EP | disclosed |
| WO-1995030652-A1 | SUBSTITUTED SPIRODIENES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1995-11-16 | — | — | WO | disclosed |
| WO-1995021817-A1 | SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1995-08-17 | — | — | WO | disclosed |
| US-5393790-A | Diphenyl- or phenyl/pyridyl-substituted spiroheptenes, -octenes,-nonenes or -decenes; cyclooxygenase II inhibitors; side effect reduction; antipyretics; antiarthritic agents | G.D. SEARLE & CO. (US) | 1995-02-28 | — | — | US | disclosed |