Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | GRM5 | P41594 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.36 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11237060 | 1.00 | KCNH2 (0.51) | KCNH2GRM5CYP1A2NPSR1GLA | |
| SCHEMBL11230085 | 0.98 | KCNH2 (0.49) | KCNH2GRM5CYP1A2NPSR1GLA | |
| SCHEMBL11235633 | 0.88 | KCNH2 (0.45) | KCNH2GRM5CYP1A2NPSR1GLA | |
| SCHEMBL11244447 | 0.88 | KCNH2 (0.45) | KCNH2GRM5CYP1A2NPSR1GLA | |
| SCHEMBL11222951 | 0.88 | KCNH2 (0.45) | KCNH2GRM5CYP1A2NPSR1GLA | |
| SCHEMBL11232821 | 0.88 | KCNH2 (0.45) | KCNH2GRM5CYP1A2NPSR1GLA | |
| SCHEMBL11235810 | 0.84 | KCNH2 (0.42) | KCNH2GRM5CYP1A2CREBBPBRD4 | |
| SCHEMBL11239984 | 0.82 | KCNH2 (0.43) | KCNH2GRM5CYP1A2HTTALDH1A1 | |
| SCHEMBL11231321 | 0.82 | KCNH2 (0.43) | KCNH2GRM5CYP1A2HTTALDH1A1 | |
| SCHEMBL11227718 | 0.80 | KCNH2 (0.41) | KCNH2GRM5CYP1A2ALDH1A1KDM4E |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4094995-A | ETHYNYLBENZENE COMPOUNDS AND DERIVATIVES THEREOF TO TREAT PAIN, FEVER AND INFLAMMATION | WILLIAM H. RORER, INC. (US) | 1978-06-13 | — | — | US | claimed |
| US-4365093-A | Ethynylbenzene compounds and derivatives thereof | WILLIAM H. RORER, INC. (US) | 1982-12-21 | — | — | US | disclosed |
| US-4296264-A | Ethynylbenzene compounds and derivatives thereof | WILLIAM H. RORER, INC. (US) | 1981-10-20 | — | — | US | disclosed |
| US-4288457-A | Ethynylbenzene compounds and derivatives thereof | WILLIAM H. RORER, INC. (US) | 1981-09-08 | — | — | US | disclosed |
| US-4264627-A | Ethynylbenzene compounds and derivatives thereof to treat inflammation, pain or fever | WILLIAM H. RORER, INC. (US) | 1981-04-28 | — | — | US | disclosed |
| US-4171373-A | Ethynylbenzene compounds and derivatives thereof to treat pain, fever and inflammation | WILLIAM H. RORER, INC. (US) | 1979-10-16 | — | — | US | disclosed |
| US-4168320-A | Ethynylbenzene compounds and derivatives thereof to treat inflammation, pain or fever | WILLIAM H. RORER, INC. (US) | 1979-09-18 | — | — | US | disclosed |
| US-4166133-A | ETHYNYLBENZENE COMPOUNDS AND DERIVATIVES THEREOF TO TREAT PAIN, FEVER AND INFLAMMATION | WILLIAM H. RORER, INC. (US) | 1979-08-28 | — | — | US | disclosed |
| US-4157449-A | Ethynylbenzene compounds and derivatives thereof | WILLIAM H. RORER, INC. (US) | 1979-06-05 | — | — | US | disclosed |
| US-4150148-A | NITROSUBSTITUTED | WILLIAM H. RORER, INC. (US) | 1979-04-17 | — | — | US | disclosed |
| US-4120889-A | Cyano ethynylbenzene compounds | WILLIAM H. RORER, INC. (US) | 1978-10-17 | — | — | US | disclosed |
| US-4120885-A | Ethynylbenzene compounds and derivatives thereof | WILLIAM H. RORER, INC. (US) | 1978-10-17 | — | — | US | disclosed |
| US-4105786-A | ANTIINFLAMMATORY | WILLIAM H. RORER, INC. (US) | 1978-08-08 | — | — | US | disclosed |
| US-4101591-A | Ethynylbenzene compounds and derivatives thereof | WILLIAM H. RORER, INC. (US) | 1978-07-18 | — | — | US | disclosed |
| US-4096279-A | Ethynylbenzene compounds and derivatives thereof in the treatment of pain fever and inflammation | WILLIAM H. RORER, INC. (US) | 1978-06-20 | — | — | US | disclosed |
| US-4094995-A | ETHYNYLBENZENE COMPOUNDS AND DERIVATIVES THEREOF TO TREAT PAIN, FEVER AND INFLAMMATION | WILLIAM H. RORER, INC. (US) | 1978-06-13 | — | — | US | disclosed |
| US-4093737-A | Ethynylbenzene compounds and derivatives thereof in the treatment of pain, fever or inflammation | WILLIAM H. RORER, INC. (US) | 1978-06-06 | — | — | US | disclosed |
| US-4075354-A | ETHYNYLBENZENE COMPOUNDS AND DERIVATIVES THEREOF FOR TREATING PAIN FEVER AND INFLAMMATION | WILLIAM H. RORER, INC. (US) | 1978-02-21 | — | — | US | disclosed |
| US-3981932-A | Ethynylbenzene compounds and derivatives thereof | WILLIAM H. RORER, INC. (US) | 1976-09-21 | — | — | US | disclosed |