Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3800243 | 0.82 | GABRA1 (0.42) | CYP2A6GABRA1GABRA5GABRA2GABRB2 | |
| SCHEMBL28022390 | 0.81 | CSNK2A1 (0.49) | CYP2A6CSNK2A1TSHRNPSR1 | |
| SCHEMBL7608202 | 0.78 | GABRA1 (0.40) | CYP2A6GABRA1GABRA5GABRA2GABRB2 | |
| SCHEMBL10659983 | 0.78 | GABRA1 (0.38) | CYP2A6GABRA1GABRA5GABRA2GABRB2 | |
| SCHEMBL11235690 | 0.78 | CYP2A6 (0.60) | CYP2A6GABRA1GABRA5GABRA2GABRB2 | |
| SCHEMBL6138312 | 0.77 | ESR2 (0.53) | CYP2A6GABRA1GABRA5GABRA2GABRB2 | |
| SCHEMBL9303383 | 0.77 | PTGS1 (0.42) | ESR1GABRA1GABRA5GABRA2GABRB2 | |
| SCHEMBL28757167 | 0.77 | ALDH1A1 (0.48) | CYP2A6CSNK2A1GABRA1GABRA5GABRA2 | |
| SCHEMBL11305092 | 0.77 | CYP2A6 (0.54) | CYP2A6GABRA1GABRA5GABRA2GABRB2 | |
| SCHEMBL27014453 | 0.74 | TRPA1 (0.46) | ALDH1A1HPGDHSD11B1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0338852-B1 | Process for the carbonylation of arylalkyl halides | HOECHST CELANESE CORP (US) | 1994-11-30 | — | — | EP | claimed |
| US-4301313-A | ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, ANALGESICS | ELI-LILLY AND COMPANY (US) | 1981-11-17 | — | — | US | claimed |
| US-4267388-A | BY SULFONATING A BENZYL ALCOHOL COMPOUND, REDUCING THE SULFONYL DERIVATIVE TO A HALOSTYRENYL COMPOUND, AND DEHYDROHALOGENATING TO THE ETHYNYLBENZENE | WILLIAM H. RORER, INC. (US) | 1981-05-12 | — | — | US | claimed |
| US-4301313-A | ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, ANALGESICS | ELI-LILLY AND COMPANY (US) | 1981-11-17 | — | — | US | disclosed |
| US-4267388-A | BY SULFONATING A BENZYL ALCOHOL COMPOUND, REDUCING THE SULFONYL DERIVATIVE TO A HALOSTYRENYL COMPOUND, AND DEHYDROHALOGENATING TO THE ETHYNYLBENZENE | WILLIAM H. RORER, INC. (US) | 1981-05-12 | — | — | US | disclosed |
| US-4226887-A | P-BIPHENYLYLACETYLENE | ELI LILLY AND COMPANY (US) | 1980-10-07 | — | — | US | disclosed |
| US-3991212-A | PHENYLACETYLENE COMPOUNDS | ELI LILLY AND COMPANY (US) | 1976-11-09 | — | — | US | disclosed |
| US-3968251-A | Arylacetylene compounds as antithrombotic agents | ELI LILLY AND COMPANY (US) | 1976-07-06 | — | — | US | disclosed |