Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 7/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 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 | |
|---|---|---|---|---|
| SCHEMBL563737 | 0.85 | NPC1 (0.50) | FFAR1CA2CA12CA9ALDH1A1 | |
| SCHEMBL22911528 | 0.71 | LTA4H (0.48) | ALDH1A1KDM4EHPGDTSHRS1PR1 | |
| SCHEMBL28564278 | 0.71 | NPC1 (0.44) | FFAR1CA2CA12CA9ALDH1A1 | |
| SCHEMBL4946113 | 0.71 | APP (0.67) | FFAR1CA2CA12CA9ALDH1A1 | |
| SCHEMBL28995058 | 0.70 | MAPT (0.47) | FFAR1CA2CA12CA9ALDH1A1 | |
| SCHEMBL8960256 | 0.68 | ALDH1A1 (0.41) | CA2ALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL717061 | 0.68 | ALDH1A1 (0.46) | CA2ALDH1A1MAPTCYP1A2CYP2C19 | |
| Ethylene SCHEMBL28248107 | 0.67 | TSHR (0.46) | CA2ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL5500837 | 0.67 | FFAR1 (0.46) | FFAR1ALDH1A1NPC1MAPTKDM4E | |
| SCHEMBL12203268 | 0.67 | ALDH1A1 (0.42) | FFAR1CA2ALDH1A1MAPTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-1756081-A1 | 1,1'-(1,2-ETHYNEDIYL)BIS-BENZENE DERIVATIVES AS PTP 1-B INHIBITORS | Applied Research Systems ARS Holding N.V. (AN) | 2007-02-28 | — | — | EP | disclosed |
| WO-2005097773-A1 | 1,1’-(1,2-ETHYNEDIYL)BIS-BENZENE DERIVATIVES AS PTP 1-B INHIBITORS | APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) | 2005-10-20 | — | — | WO | disclosed |