Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSMB5 | P28074 | 1/20 | 0.43 |
| ▸ | RORC | P51449 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5501954 | 0.90 | PSMB5 (0.44) | PSMB5RORCPOLBHDAC3HDAC4 | |
| SCHEMBL1812730 | 0.86 | PSMB5 (0.50) | PSMB5RORCPOLBKDM4EMEN1 | |
| SCHEMBL5498485 | 0.85 | RORC (0.46) | RORCPOLBHDAC3HDAC4HDAC1 | |
| SCHEMBL12626731 | 0.85 | PSMB5 (0.49) | PSMB5RORCPOLBKDM4EMEN1 | |
| SCHEMBL1811516 | 0.83 | PSMB5 (0.46) | PSMB5RORCMAPTMAPK1RAB9A | |
| SCHEMBL5504296 | 0.83 | PTGES (0.52) | ALDH1A1ACACB | |
| SCHEMBL5497710 | 0.78 | ACACB (0.41) | ACACB | |
| SCHEMBL1811686 | 0.75 | SMN1; SMN2 (0.48) | POLBHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL12626711 | 0.74 | MEN1 (0.42) | PSMB5POLBHDAC3HDAC4HDAC1 | |
| SCHEMBL10790284 | 0.74 | ALDH1A1 (0.51) | POLBALDH1A1HPGD |
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 |