Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | GRM5 | P41594 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.35 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11244447 | 1.00 | KCNH2 (0.45) | KCNH2GRM5CYP1A2TSHRALDH1A1 | |
| SCHEMBL23705829 | 0.92 | TSHR (0.39) | KCNH2GRM5CYP1A2TSHRALDH1A1 | |
| SCHEMBL30042933 | 0.92 | TSHR (0.39) | KCNH2GRM5CYP1A2TSHRALDH1A1 | |
| SCHEMBL11237060 | 0.88 | KCNH2 (0.51) | KCNH2GRM5CYP1A2TSHRALDH1A1 | |
| SCHEMBL11226503 | 0.88 | KCNH2 (0.51) | KCNH2GRM5CYP1A2TSHRALDH1A1 | |
| SCHEMBL11230085 | 0.86 | KCNH2 (0.49) | KCNH2GRM5CYP1A2ALDH1A1PIK3CB | |
| SCHEMBL11232821 | 0.81 | KCNH2 (0.45) | KCNH2GRM5CYP1A2ALDH1A1PIK3CB | |
| SCHEMBL11235633 | 0.81 | KCNH2 (0.45) | KCNH2GRM5CYP1A2KDM4ECREBBP | |
| SCHEMBL11235810 | 0.77 | KCNH2 (0.42) | KCNH2GRM5CYP1A2GAACREBBP | |
| SCHEMBL26686064 | 0.75 | GRM5 (0.45) | KCNH2GRM5CYP1A2PIK3CBFFAR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4365093-A | Ethynylbenzene compounds and derivatives thereof | WILLIAM H. RORER, INC. (US) | 1982-12-21 | — | — | US | claimed |
| 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 | claimed |