Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOX | P28300 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | FEN1 | P39748 | 1/20 | 0.37 |
| ▸ | PTGER3 | P43115 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 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 | |
|---|---|---|---|---|
| SCHEMBL11639362 | 0.76 | CYP2C9 (0.56) | LOXALDH1A1SMN1; SMN2HPGDPTGDR2 | |
| SCHEMBL9341772 | 0.71 | L3MBTL1 (0.58) | ALDH1A1SMN1; SMN2HPGDPTGDR2KDM4E | |
| SCHEMBL5539753 | 0.68 | L3MBTL1 (0.57) | ALDH1A1HPGDCYP2C9L3MBTL1TSHR | |
| SCHEMBL1336037 | 0.66 | LOX (0.60) | LOXALDH1A1SMN1; SMN2HPGDKDM4E | |
| SCHEMBL7169786 | 0.65 | KDM4E (0.58) | ALDH1A1SMN1; SMN2HPGDPTGDR2KDM4E | |
| SCHEMBL9787894 | 0.65 | TTR (0.39) | ALDH1A1TDP1HSD17B10TSHR | |
| SCHEMBL7049712 | 0.64 | L3MBTL1 (0.56) | ALDH1A1SMN1; SMN2HPGDPTGDR2KDM4E | |
| Hydrochloric Acid SCHEMBL28533417 | 0.64 | LOX (0.58) | LOXALDH1A1SMN1; SMN2HPGDKDM4E | |
| SCHEMBL5386792 | 0.64 | L3MBTL1 (0.65) | ALDH1A1SMN1; SMN2HPGDPTGDR2KDM4E | |
| SCHEMBL2781210 | 0.64 | BRAF (0.60) | ALDH1A1SMN1; SMN2TDP1POLBTSHR |
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 |