Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESRRG | P62508 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.44 |
| ▸ | EGFR | P00533 | 4/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 4/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.43 |
| ▸ | ESRRB | O95718 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5498485 | 0.87 | RORC (0.46) | NPC1HPGDRAB9AHDAC3HDAC1 | |
| SCHEMBL1811686 | 0.86 | SMN1; SMN2 (0.48) | NPC1HPGDRAB9ANR1H4HDAC3 | |
| SCHEMBL12626711 | 0.86 | MEN1 (0.42) | NPC1HPGDRAB9ANR1H4HDAC3 | |
| SCHEMBL1811957 | 0.84 | EPHX2 (0.43) | NPC1HPGDRAB9ANR1H4HDAC3 | |
| SCHEMBL27508667 | 0.76 | KCNH2 (0.50) | HPGD | |
| SCHEMBL2855520 | 0.76 | RARB (0.59) | ESRRGNR1H4HDAC1HDAC6PTPN11 | |
| SCHEMBL2858345 | 0.76 | CA1 (0.47) | ESRRGHDAC1HDAC6 | |
| SCHEMBL9711161 | 0.75 | ESR1 (0.63) | ESRRGEGFRESRRB | |
| SCHEMBL5501954 | 0.75 | PSMB5 (0.44) | HPGDRAB9AHDAC3HDAC1HDAC2 | |
| SCHEMBL1812730 | 0.74 | PSMB5 (0.50) | HPGDRAB9APOLBRORC |
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 |