Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.54 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.50 |
| ▸ | GRM5 | P41594 | 2/20 | 0.48 |
| ▸ | ACACB | O00763 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MITF | O75030 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7503100 | 1.00 | CYP2A6 (0.54) | CYP2A6FFAR1KCNH2GRM5ACACB | |
| SCHEMBL9511294 | 0.94 | FFAR1 (0.58) | CYP2A6FFAR1KCNH2GRM5ACACB | |
| SCHEMBL5050178 | 0.90 | CYP2A6 (0.64) | CYP2A6FFAR1ACACBCA2ALDH1A1 | |
| SCHEMBL8228398 | 0.90 | CYP2A6 (0.64) | CYP2A6FFAR1ACACBCA2ALDH1A1 | |
| SCHEMBL5497395 | 0.84 | IDO1 (0.55) | CYP2A6KCNH2CA2ALDH1A1IDO1 | |
| P-Xylene SCHEMBL28187926 | 0.84 | IDO1 (0.55) | CYP2A6KCNH2CA2ALDH1A1IDO1 | |
| SCHEMBL40574 | 0.84 | — | — | |
| SCHEMBL8978800 | 0.84 | FFAR1 (0.41) | CYP2A6FFAR1KCNH2GRM5ACACB | |
| SCHEMBL9509240 | 0.83 | CYP2A6 (0.56) | CYP2A6FFAR1ACACBTP53TAAR1 | |
| SCHEMBL9742616 | 0.82 | ASIC3 (0.51) | CYP2A6FFAR1KCNH2GRM5ACACB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0345013-B1 | 1-(4-alkylphenylethynyl)-4-(alkylphenylethynyl) benzenes | CHISSO CORP (JP) | 1994-03-16 | — | — | EP | disclosed |
| US-5250216-A | 1-(4-alkylphenylethynyl)-4-(alkylphenylethynyl)-benzene | CHISSO CORPORATION (JP) | 1993-10-05 | — | — | US | disclosed |
| EP-0345013-A2 | 1-(4-alkylphenylethynyl)-4-(alkylphenylethynyl) benzenes | Chisso Corporation (JP) | 1989-12-06 | — | — | EP | disclosed |