Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.56 |
| ▸ | CA1 | P00915 | 3/20 | 0.56 |
| ▸ | CA2 | P00918 | 3/20 | 0.56 |
| ▸ | CA9 | Q16790 | 3/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 4/20 | 0.39 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.38 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.37 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 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 | |
|---|---|---|---|---|
| SCHEMBL11230757 | 0.95 | CA12 (0.51) | CA12CA1CA2CA9CA14 | |
| SCHEMBL11231899 | 0.94 | CA12 (0.53) | CA12CA1CA2CA9CA14 | |
| SCHEMBL1202217 | 0.90 | CA12 (0.67) | CA12CA1CA2CA9CA14 | |
| SCHEMBL29891576 | 0.90 | CA12 (0.67) | CA12CA1CA2CA9CA14 | |
| SCHEMBL3842456 | 0.75 | CA1 (0.71) | CA12CA1CA2CA9CA14 | |
| SCHEMBL5441030 | 0.73 | PTGS2 (0.47) | CA12CA1CA2CA9CA14 | |
| SCHEMBL16236371 | 0.73 | ALDH1A1 (0.55) | CA12CA1CA2CA9CA14 | |
| SCHEMBL410063 | 0.72 | MCOLN3 (0.51) | PTGS2MCOLN3 | |
| SCHEMBL31672139 | 0.72 | CA1 (0.67) | CA12CA1CA2CA9CA14 | |
| SCHEMBL10247631 | 0.72 | CA1 (0.67) | CA12CA1CA2CA9CA14 |
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-4120885-A | Ethynylbenzene compounds and derivatives thereof | WILLIAM H. RORER, INC. (US) | 1978-10-17 | — | — | 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 |