Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | GSR | P00390 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13153200 | 0.85 | ALDH1A1 (0.35) | ALDH1A1TSHRHTR2AHTR2CHTR2B | |
| SCHEMBL11347764 | 0.73 | MAPK10 (0.32) | — | |
| SCHEMBL25461039 | 0.70 | TAAR1 (0.39) | HTR2AHTR2CHTR2BCYP3A4 | |
| SCHEMBL386002 | 0.67 | ALDH1A1 (0.37) | ALDH1A1TSHRHTR2AHTR2CHTR2B | |
| SCHEMBL11344641 | 0.67 | HTR2C (0.35) | ALDH1A1TSHRHTR2AHTR2CHTR2B | |
| SCHEMBL1106460 | 0.64 | PTGS2 (0.41) | TSHRHTR2AHTR2CHTR2B | |
| SCHEMBL21476005 | 0.62 | POLB (0.33) | ALDH1A1TSHR | |
| SCHEMBL7675436 | 0.62 | ALDH1A1 (0.50) | ALDH1A1TSHRTP53KDM4E | |
| SCHEMBL23303726 | 0.60 | HSP90AA1 (0.41) | KDM4E | |
| SCHEMBL14659050 | 0.60 | ALDH1A1 (0.37) | ALDH1A1TSHRHTR2AHTR2CHTR2B |
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 |
|---|---|---|---|---|---|---|---|
| EP-0000649-B1 | 5-SUBSTITUTED-1,2-DIHYDRO-3H-PYRROLO(1,2-A)PYRROLE-1-CARBONITRILES AND PROCESS FOR THEIR CONVERSION TO THE CORRESPONDING 1-CARBOXYLIC ACIDS | SYNTEX (U.S.A.) INC. (US) | 1981-03-25 | — | — | EP | disclosed |
| US-4232038-A | ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, AND MUSCLE RELAXANTS | SYNTEX (U.S.A.) INC. (US) | 1980-11-04 | — | — | US | disclosed |
| US-4140698-A | 1,2-Dihydro-3H-pyrrolo[1,2-a]pyrrole-1-nitriles | SYNTEX (USA) INC. (US) | 1979-02-20 | — | — | US | disclosed |
| EP-0000649-A1 | 5-substituted-1,2-dihydro-3H-pyrrolo(1,2-a)pyrrole-1-carbonitriles and process for their conversion to the corresponding 1-carboxylic acids | SYNTEX (U.S.A.) INC. (US) | 1979-02-07 | — | — | EP | disclosed |